Geometry & MOs

Info

ID:	858
PubChem CID:	3446
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	6.65
IP(EA), eV:	-10.2(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(aminomethyl)cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)O)CN

DOS

IR

Vibrations