Geometry & MOs

Info

ID:	183570
PubChem CID:	77042075
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	5.15
IP(EA), eV:	-8.18(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-N-(3-methylpyrazolidine-4-carbonyl)anilino)acetic acid

Drug info:

PubChemData

Smile

CC1C(CNN1)C(=O)NC2=CC(=C(C=C2)N)C

DOS

IR

Vibrations