Geometry & MOs

Info

ID:	314693
PubChem CID:	126622753
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	662.02271
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	4.02
IP(EA), eV:	-8.93(2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-[2-cyclopropyl-3-[[1-iodo-2-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]benzimidazol-5-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)O.C1CC2C(C1)C2N

DOS

IR

Vibrations