Geometry & MOs

Info

ID:	274327
PubChem CID:	103808564
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	-34.18
Dipole, Da:	5.56
IP(EA), eV:	-9.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-N-(3-bromo-2-methylphenyl)-3-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C(C)(C)CN

DOS

IR

Vibrations