Geometry & MOs

Info

ID:	195757
PubChem CID:	78731552
Reduced:	SN3O5H15C18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	390.199308
ΔH_f, kcal/mol:	-15.46
Dipole, Da:	11.44
IP(EA), eV:	-9.03(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C2NC(=O)C3C4=C(CCC4)SC3=N2)C=C(C1=O)[N+](=O)[O-]

DOS

IR

Vibrations