Geometry & MOs

Info

ID:	48056
PubChem CID:	10536837
Reduced:	N3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	219.079647
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	4.14
IP(EA), eV:	-9.93(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylindazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=CC(=C2)[N+](=O)[O-])NC1=O

DOS

IR

Vibrations