Geometry & MOs

Info

ID:

433637

PubChem CID:

135173777

Reduced:

OCl2N7H29C34 (1)

Stoich.:

AB2C7D29E34 (1)

Weight, g/mol:

624.2728

ΔHf, kcal/mol:

104.36

Dipole, Da:

4.15

IP(EA), eV:

 -8.38(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-[[3-[(1-hydroxypropan-2-ylamino)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CN=C3C(=C2)C=CN=C3NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CO)Cl

DOS

IR

Vibrations