Geometry & MOs

Info

ID:	309992
PubChem CID:	126572525
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	433.06127
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	5.25
IP(EA), eV:	-8.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-bromo-1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=C(N3CC(C)OC)C

DOS

IR

Vibrations