Geometry & MOs

Info

ID:	141191
PubChem CID:	52834571
Reduced:	BrNOC18H24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	349.10413
ΔH_f, kcal/mol:	-40.08
Dipole, Da:	1.78
IP(EA), eV:	-9.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)[C@H]2C[C@@H]2C3=CC(=CC=C3)Br

DOS

IR

Vibrations