Geometry & MOs

Info

ID:

173132

PubChem CID:

75602946

Reduced:

O4N7C44H45 (1)

Stoich.:

A4B7C44D45 (1)

Weight, g/mol:

655.313169

ΔHf, kcal/mol:

-36.82

Dipole, Da:

3.54

IP(EA), eV:

 -8.84(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[[5-[6-[2-[1-(3-methylimidazole-4-carbonyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)O)C3=NC=C(N3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N=C6)NCC7CCN(C7)C(=O)C(CC8=CC=CC=C8)O

DOS

IR

Vibrations