Geometry & MOs

Info

ID:	41621
PubChem CID:	8146601
Reduced:	O2N3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-27.8
Dipole, Da:	6.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.070424
Charge, e:	0

Chem-info

IUPAC name:

1-[[benzyl(ethyl)amino]methyl]indole-2,3-dione

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC=CC=C1)CN2C(=O)[C@@](NC2=O)(C)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations