Geometry & MOs

Info

ID:

433604

PubChem CID:

135173744

Reduced:

N3H15C16 (1)

Stoich.:

A3B15C16 (1)

Weight, g/mol:

638.28845

ΔHf, kcal/mol:

110.2

Dipole, Da:

4.05

IP(EA), eV:

 -9.09(-0.67)

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]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2C3=CC=CC=C3N=N2)CC=C

DOS

IR

Vibrations