Geometry & MOs

Info

ID:	218156
PubChem CID:	85088962
Reduced:	OSN2H22C28 (1)
Stoich.:	ABC2D22E28 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	116.99
Dipole, Da:	2.67
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-1,3-dimethyl-5-[4-(4-phenylpiperazin-1-yl)but-2-enyl]pyrrolo[3,4-c]pyrrole-4,6-dione

Drug info:

PubChemData

Smile

C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations