Geometry & MOs

Info

ID:	261798
PubChem CID:	103251740
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	5.83
IP(EA), eV:	-9.35(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-methylimidazol-2-yl)methylamino]methyl]-6-nitrobenzoic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1CNC/C=C/C(=O)O

DOS

IR

Vibrations