Geometry & MOs

Info

ID:	145448
PubChem CID:	53526594
Reduced:	SO3N4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	266.116761
ΔH_f, kcal/mol:	-23.22
Dipole, Da:	4.85
IP(EA), eV:	-9.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-prop-2-enyl-N-(1H-pyrazol-4-yl)indole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC=C1)CSC2=NN=NN2C

DOS

IR

Vibrations