Geometry & MOs

Info

ID:	265117
PubChem CID:	103510667
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-111.13
Dipole, Da:	8.15
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[(3-methylimidazole-4-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)NC2=C(C=CC(=C2)OC)C(=O)O

DOS

IR

Vibrations