Geometry & MOs

Info

ID:	31998
PubChem CID:	3727085
Reduced:	N2O5C26H28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	513.1536
ΔH_f, kcal/mol:	-167.27
Dipole, Da:	3.72
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-5-(3-nitrophenyl)-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C=CC4=CC=CC=C4)(CO)C(=O)O

DOS

IR

Vibrations