Geometry & MOs

Info

ID:	36960
PubChem CID:	8015384
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	395.197082
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	7.76
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methoxychromen-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC(=O)OC4=C3C=C(C(=C4)C)C

DOS

IR

Vibrations