Geometry & MOs

Info

ID:	20670
PubChem CID:	585102
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-101.73
Dipole, Da:	3.01
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations