Geometry & MOs

Info

ID:	340506
PubChem CID:	127262517
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	0.97
IP(EA), eV:	-8.51(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(1,2-dihydropyrazol-3-ylidene)-N-ethylindole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)OC(=O)CC1=CNC2=CC=CC=C21

DOS

IR

Vibrations