Geometry & MOs

Info

ID:	39033
PubChem CID:	8138402
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	273.091355
ΔH_f, kcal/mol:	26.14
Dipole, Da:	3.27
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)SC2=NC=NC3=CC=CC=C32

DOS

IR

Vibrations