Geometry & MOs

Info

ID:	251343
PubChem CID:	103103318
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	243.121906
ΔH_f, kcal/mol:	-70.71
Dipole, Da:	1.38
IP(EA), eV:	-8.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-cyclopropylacetic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1=CC=CC(=C1)CN

DOS

IR

Vibrations