Geometry & MOs

Info

ID:	340516
PubChem CID:	127262527
Reduced:	ON4H14C18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	106.25
Dipole, Da:	6.03
IP(EA), eV:	-8.48(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations