Geometry & MOs

Info

ID:	265760
PubChem CID:	103544854
Reduced:	NOC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	3.93
IP(EA), eV:	-9.35(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-ethyl-1-[(2-methylphenyl)methyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(C=N1)CC2=CC=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations