Geometry & MOs

Info

ID:	31997
PubChem CID:	3727083
Reduced:	N2O5H28C30 (1)
Stoich.:	A2B5C28D30 (1)
Weight, g/mol:	448.199822
ΔH_f, kcal/mol:	-134.98
Dipole, Da:	3.72
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-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

CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C=CC5=CC=CC=C5)(CO)C(=O)O

DOS

IR

Vibrations