Geometry & MOs

Info

ID:	36959
PubChem CID:	8015383
Reduced:	N2O3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-60.43
Dipole, Da:	9.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812189
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6,7-dimethylchromen-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C(=C4)C)C

DOS

IR

Vibrations