Geometry & MOs

Info

ID:	206488
PubChem CID:	80259233
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	257.126323
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	1.44
IP(EA), eV:	-9.78(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carboxymethyl-(1-ethylcyclopentanecarbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)NC2=NC=CN=C2C(=O)O

DOS

IR

Vibrations