Geometry & MOs

Info

ID:	326895
PubChem CID:	126688593
Reduced:	ClNO4C9H16 (1)
Stoich.:	ABC4D9E16 (1)
Weight, g/mol:	490.18279
ΔH_f, kcal/mol:	-214.16
Dipole, Da:	7.78
IP(EA), eV:	-10.31(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCCl)CC(=O)O

DOS

IR

Vibrations