Geometry & MOs

Info

ID:

427898

PubChem CID:

135165038

Reduced:

O2N3C20H35 (1)

Stoich.:

A2B3C20D35 (1)

Weight, g/mol:

724.32523

ΔHf, kcal/mol:

-101.34

Dipole, Da:

1.53

IP(EA), eV:

 -8.26(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[2-[[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OCCCN1CCN(CC1)C2=CN=C(C=C2)OC(C)(C)C

DOS

IR

Vibrations