Geometry & MOs

Info

ID:	10306
PubChem CID:	100097
Reduced:	O4N5C10H15 (1)
Stoich.:	A4B5C10D15 (1)
Weight, g/mol:	269.112404
ΔH_f, kcal/mol:	-148.72
Dipole, Da:	3.57
IP(EA), eV:	-9.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(NC=N1)CC(C(=O)O)NC(=O)CNC(=O)CN

DOS

IR

Vibrations