Geometry & MOs

Info

ID:	53723
PubChem CID:	14717808
Reduced:	N4O5C10H14 (1)
Stoich.:	A4B5C10D14 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-192.62
Dipole, Da:	5.79
IP(EA), eV:	-9.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-aminopropanoyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(NC=N1)CC(C(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations