Geometry & MOs

Info

ID:	4464
PubChem CID:	11444
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-107.32
Dipole, Da:	4.52
IP(EA), eV:	-9.69(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1CC(C(=O)O)NC(=O)CCN

DOS

IR

Vibrations