Geometry & MOs

Info

ID:	261729
PubChem CID:	103247839
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	337.06774
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	10.21
IP(EA), eV:	-9.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN/C=C/C(=O)O

DOS

IR

Vibrations