Geometry & MOs

Info

ID:	168189
PubChem CID:	74935102
Reduced:	NO4C12H18 (2)
Stoich.:	AB4C12D18 (2)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	-351.86
Dipole, Da:	9.56
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-anilino-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)O)[NH2+]C.CC(C(C1=CC=CC=C1)O)[NH2+]C.C(C(C(=O)[O-])O)(C(=O)[O-])O

DOS

IR

Vibrations