Geometry & MOs

Info

ID:	31992
PubChem CID:	3727072
Reduced:	N4O7C20H20 (1)
Stoich.:	A4B7C20D20 (1)
Weight, g/mol:	430.174001
ΔH_f, kcal/mol:	-101.65
Dipole, Da:	4.97
IP(EA), eV:	-8.72(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C(=O)N1N=CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC)OC

DOS

IR

Vibrations