Geometry & MOs

Info

ID:	38865
PubChem CID:	8138078
Reduced:	ClO3N4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	397.153875
ΔH_f, kcal/mol:	-66.03
Dipole, Da:	4.73
IP(EA), eV:	-9.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCC(=O)NNC(=O)C2=CC=CN2)Cl

DOS

IR

Vibrations