Geometry & MOs

Info

ID:	271750
PubChem CID:	103690709
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	351.08339
ΔH_f, kcal/mol:	-76.09
Dipole, Da:	5.33
IP(EA), eV:	-9.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(3-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations