Geometry & MOs

Info

ID:	135845
PubChem CID:	51948782
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-57.23
Dipole, Da:	1.88
IP(EA), eV:	-9.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-bromophenyl)propan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=C(C=C1)Br)NC(=O)C2CCCCC2

DOS

IR

Vibrations