Geometry & MOs

Info

ID:	9009
PubChem CID:	84972
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	3.23
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CC(=O)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations