Geometry & MOs

Info

ID:	31996
PubChem CID:	3727082
Reduced:	N2O5H20C22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	496.199822
ΔH_f, kcal/mol:	-148.95
Dipole, Da:	1.49
IP(EA), eV:	-9.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C3C4C(C(=O)NC4=O)C(N3)(CO)C(=O)O

DOS

IR

Vibrations