Geometry & MOs

Info

ID:	258658
PubChem CID:	103156057
Reduced:	N2O4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-164.02
Dipole, Da:	6.5
IP(EA), eV:	-9.99(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-amino-3-methoxybutanoyl)amino]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(CC(=O)NC1(CC1)C(=O)O)CN

DOS

IR

Vibrations