Geometry & MOs

Info

ID:

433711

PubChem CID:

135173851

Reduced:

SO3N7C36H39 (1)

Stoich.:

AB3C7D36E39 (1)

Weight, g/mol:

586.316858

ΔHf, kcal/mol:

42.17

Dipole, Da:

10.08

IP(EA), eV:

 -7.06(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC=C/C(=N\C3=C4C(=CC(=CN4)CN5CCCC5)C=CN3)/C2=O)C6=NC7=C(S6)CN(C7)C(=O)CN(C)CCO

DOS

IR

Vibrations