Geometry & MOs

Info

ID:	38853
PubChem CID:	8138056
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	299.090606
ΔH_f, kcal/mol:	-170.37
Dipole, Da:	6.93
IP(EA), eV:	-9.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1OCCOC2=CC=CC=C2

DOS

IR

Vibrations