Geometry & MOs

Info

ID:	197126
PubChem CID:	78925714
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-27.67
Dipole, Da:	4.27
IP(EA), eV:	-9.5(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NC(=O)C2=C(C=C(C=C2)Br)OC

DOS

IR

Vibrations