Geometry & MOs

Info

ID:	195301
PubChem CID:	78670875
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	383.164068
ΔH_f, kcal/mol:	-174.9
Dipole, Da:	3.93
IP(EA), eV:	-8.32(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1,1-dioxothiolan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)C(=O)OCC(=O)NC2=C(C=CC(=C2)C)OC

DOS

IR

Vibrations