Geometry & MOs

Info

ID:	170004
PubChem CID:	75179166
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	465.151155
ΔH_f, kcal/mol:	-179.07
Dipole, Da:	6.73
IP(EA), eV:	-9.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methoxy-5-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)CC(C(=O)O)NC(=O)C=CC1=CC=CC=C1

DOS

IR

Vibrations