Geometry & MOs

Info

ID:	123560
PubChem CID:	50854154
Reduced:	N4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	103.94
Dipole, Da:	5.3
IP(EA), eV:	-8.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyclopentylpyrrol-3-yl)methylidene]indene-1,3-dione

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations