Geometry & MOs

Info

ID:	178493
PubChem CID:	76336150
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	307.059306
ΔH_f, kcal/mol:	-136.56
Dipole, Da:	7.42
IP(EA), eV:	-8.23(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCOC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)OC

DOS

IR

Vibrations