Geometry & MOs

Info

ID:	247491
PubChem CID:	103071859
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	44.02
Dipole, Da:	7.83
IP(EA), eV:	-9.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=C)CNC2CC2)C)[N+](=O)[O-]

DOS

IR

Vibrations