Geometry & MOs

Info

ID:	261672
PubChem CID:	103244842
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	325.06774
ΔH_f, kcal/mol:	-116.36
Dipole, Da:	3.66
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[[(1-methylcyclohexyl)amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1)NCC2=C(OC=C2)C(=O)O

DOS

IR

Vibrations