Geometry & MOs

Info

ID:	127271
PubChem CID:	50996717
Reduced:	BrFON4H16C17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	382.273262
ΔH_f, kcal/mol:	37.88
Dipole, Da:	5.09
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(N=CC=C1)OC2=C(C3=C(C=C2)N(N=N3)CC4CC4)Br)F

DOS

IR

Vibrations