Geometry & MOs

Info

ID:	340515
PubChem CID:	127262526
Reduced:	ON4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	302.116761
ΔH_f, kcal/mol:	78.66
Dipole, Da:	4.59
IP(EA), eV:	-8.45(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-indol-2-ylidene-N-phenyl-1,2-dihydropyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C\1=CNN/C1=C/2\C=C3C=CC=CC3=N2

DOS

IR

Vibrations