Geometry & MOs

Info

ID:

433942

PubChem CID:

135174089

Reduced:

O2N9C24H25 (1)

Stoich.:

A2B9C24D25 (1)

Weight, g/mol:

684.2728

ΔHf, kcal/mol:

35.46

Dipole, Da:

7.13

IP(EA), eV:

 -8.41(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N(C1=O)C3=CC4=C(C=C3)NC=C4)N)NC5=CN=C(C=C5)C(=O)N(C)C

DOS

IR

Vibrations