Geometry & MOs

Info

ID:	436797
PubChem CID:	135211594
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	904.705709
ΔH_f, kcal/mol:	71.11
Dipole, Da:	2.53
IP(EA), eV:	-8.56(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-tert-butylfuran-2-yl)-1-[5-(4-tert-butylphenyl)furan-2-yl]-2,5-bis(2-hexyldecyl)pyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

CCC1=C2NC(=O)CC(=O)N2N(C#C1)C

DOS

IR

Vibrations