Geometry & MOs

Info

ID:	38822
PubChem CID:	8137985
Reduced:	ClNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	323.022832
ΔH_f, kcal/mol:	-170.25
Dipole, Da:	3.82
IP(EA), eV:	-9.1(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)[C@H](C)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations