Geometry & MOs

Info

ID:	169375
PubChem CID:	75096430
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	470.096867
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	3.7
IP(EA), eV:	-9.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-5-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC#C)C(C)C1=CC=C(C=C1)C(=O)C

DOS

IR

Vibrations