Geometry & MOs

Info

ID:	150430
PubChem CID:	53790120
Reduced:	NC10H11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	491.184506
ΔH_f, kcal/mol:	53.85
Dipole, Da:	2.15
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]indol-2-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC(=CC=C)C1=CC=CC=N1

DOS

IR

Vibrations