Geometry & MOs

Info

ID:	141190
PubChem CID:	52834556
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	349.10413
ΔH_f, kcal/mol:	-67.99
Dipole, Da:	2.68
IP(EA), eV:	-9.04(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(3-bromophenyl)-N-(1,4-dimethylcyclohexyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)[C@@H](C)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations