Geometry & MOs

Info

ID:	194609
PubChem CID:	78561504
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	393.278013
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	2.64
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-(2-butan-2-ylphenyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2)C

DOS

IR

Vibrations