Geometry & MOs

Info

ID:	38841
PubChem CID:	8138030
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	289.061804
ΔH_f, kcal/mol:	-133.94
Dipole, Da:	3.03
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations