Geometry & MOs

Info

ID:	281071
PubChem CID:	103852733
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	309.07283
ΔH_f, kcal/mol:	-96.71
Dipole, Da:	4.04
IP(EA), eV:	-9.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-methyl-N-(4-methylcyclohexyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2CCC(CC2)O)Br

DOS

IR

Vibrations