Geometry & MOs

Info

ID:	195863
PubChem CID:	78743211
Reduced:	NF3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	382.213067
ΔH_f, kcal/mol:	-264.14
Dipole, Da:	4.63
IP(EA), eV:	-9.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methylideneamino]oxy-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations