Geometry & MOs

Info

ID:	167170
PubChem CID:	74790381
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	428.266165
ΔH_f, kcal/mol:	-1.56
Dipole, Da:	4.06
IP(EA), eV:	-8.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CN(CC1CNNC1C2=CC3=C(C=C2)OCO3)CC4=NC5=C(S4)CCCC5

DOS

IR

Vibrations