Geometry & MOs

Info

ID:

440694

PubChem CID:

135230991

Reduced:

PN2O9H55C59 (1)

Stoich.:

AB2C9D55E59 (1)

Weight, g/mol:

483.274659

ΔHf, kcal/mol:

-259.34

Dipole, Da:

2.4

IP(EA), eV:

 -8.96(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(dimethylamino)-3-[2-(2-methyl-N-(methylideneamino)anilino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=CC=C(C=C1)C(C)(C2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)C5=CC6=C(C=C5)C(=O)N(C6=O)C(C)(CC)CC)OC(=O)C(=C)C)P7(=O)C8=CC=CC=C8C9=CC=CC=C9O7

DOS

IR

Vibrations