Geometry & MOs

Info

ID:	397599
PubChem CID:	135030450
Reduced:	NOH8C11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	259.110947
ΔH_f, kcal/mol:	46.67
Dipole, Da:	3.15
IP(EA), eV:	-9.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pyrazol-1-ylphenyl)-1H-indole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)O)N4C=CC=N4

DOS

IR

Vibrations