Geometry & MOs

Info

ID:	287882
PubChem CID:	104297368
Reduced:	BrNOC17H22 (1)
Stoich.:	ABCD17E22 (1)
Weight, g/mol:	337.10413
ΔH_f, kcal/mol:	-48.69
Dipole, Da:	4.45
IP(EA), eV:	-9.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCC3(CCCC3)CC2)Br

DOS

IR

Vibrations