Geometry & MOs

Info

ID:	296331
PubChem CID:	117569077
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-94.66
Dipole, Da:	5.1
IP(EA), eV:	-8.63(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromoanilino)methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CNC2=CC(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations