Geometry & MOs

Info

ID:	342123
PubChem CID:	127264836
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-63.17
Dipole, Da:	6.68
IP(EA), eV:	-8.56(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=CC1=CC(=C(C=C1)O)OC)C2=CC=CC=C2

DOS

IR

Vibrations