Geometry & MOs

Info

ID:	271751
PubChem CID:	103690818
Reduced:	BrNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-73.85
Dipole, Da:	5.02
IP(EA), eV:	-9.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-2,5-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2(CC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations