Geometry & MOs

Info

ID:

432384

PubChem CID:

135172517

Reduced:

NC11H21 (1)

Stoich.:

AB11C21 (1)

Weight, g/mol:

766.37218

ΔHf, kcal/mol:

-7.14

Dipole, Da:

1.57

IP(EA), eV:

-8.07(1.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-[2-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-ethylbicyclo[3.3.1]nonane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC/C=C\C(=C/C(C)C)\NCC

DOS

IR

Vibrations