Geometry & MOs

Info

ID:	29090
PubChem CID:	831522
Reduced:	ClN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	337.10413
ΔH_f, kcal/mol:	2.44
Dipole, Da:	2.65
IP(EA), eV:	-8.31(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations