Geometry & MOs

Info

ID:	169565
PubChem CID:	75120656
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	22.03
Dipole, Da:	4.88
IP(EA), eV:	-7.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations