Geometry & MOs

Info

ID:

433904

PubChem CID:

135174051

Reduced:

ClON8C35H39 (1)

Stoich.:

ABC8D35E39 (1)

Weight, g/mol:

627.332174

ΔHf, kcal/mol:

64.57

Dipole, Da:

6.59

IP(EA), eV:

 -8.04(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCCN(CC)CC1=CN=C2C(=C1)C=CN=C2NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCNC6)Cl

DOS

IR

Vibrations