Geometry & MOs

Info

ID:	40534
PubChem CID:	8144284
Reduced:	N3O4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	7.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.795878
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-phenylpiperazin-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=CC=C5

DOS

IR

Vibrations