Geometry & MOs

Info

ID:	41364
PubChem CID:	8145730
Reduced:	FN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	397.143784
ΔH_f, kcal/mol:	-102.41
Dipole, Da:	6.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.902769
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CN2C3=CC4=C(C=C3C(=O)C2=O)OCCO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations