Geometry & MOs

Info

ID:	251366
PubChem CID:	103103459
Reduced:	N3O4C11H21 (1)
Stoich.:	A3B4C11D21 (1)
Weight, g/mol:	285.168856
ΔH_f, kcal/mol:	-203.9
Dipole, Da:	5.4
IP(EA), eV:	-9.76(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(CNC(=O)N(CC)CC(=O)N)C(=O)O

DOS

IR

Vibrations