Geometry & MOs

Info

ID:	41710
PubChem CID:	8146896
Reduced:	N2O4C20H21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	8.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805400
Charge, e:	0

Chem-info

IUPAC name:

6-[[benzyl(ethyl)amino]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC=CC=C1)CN2C3=CC4=C(C=C3C(=O)C2=O)OCCO4

DOS

IR

Vibrations