Geometry & MOs

Info

ID:	265759
PubChem CID:	103544849
Reduced:	N3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	-141.69
Dipole, Da:	6.28
IP(EA), eV:	-8.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-1-[(4-nitrophenyl)methyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=NC(=C1N)C(=O)OC

DOS

IR

Vibrations