Geometry & MOs

Info

ID:	287879
PubChem CID:	104297295
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	-53.77
Dipole, Da:	5.0
IP(EA), eV:	-9.34(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCCCOC=C)Br

DOS

IR

Vibrations