Geometry & MOs

Info

ID:	340511
PubChem CID:	127262522
Reduced:	FON3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	51.38
Dipole, Da:	3.2
IP(EA), eV:	-8.48(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C/C(=C/2\C(=CN(N2)C3=CC=C(C=C3)F)C=O)/N=C1

DOS

IR

Vibrations