Geometry & MOs

Info

ID:	178494
PubChem CID:	76336459
Reduced:	N3O4H9C16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	296.079707
ΔH_f, kcal/mol:	8.04
Dipole, Da:	5.87
IP(EA), eV:	-9.96(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylphenyl)-7-nitro-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=C3C=C(NC3=C(C=C2)[N+](=O)[O-])C(=O)O)C#N

DOS

IR

Vibrations