Geometry & MOs

Info

ID:	340514
PubChem CID:	127262525
Reduced:	ON4H16C19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	240.101111
ΔH_f, kcal/mol:	104.07
Dipole, Da:	4.9
IP(EA), eV:	-8.46(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C\2=CNN/C2=C/3\C=C4C=CC=CC4=N3

DOS

IR

Vibrations