Geometry & MOs

Info

ID:	173068
PubChem CID:	75592437
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	398.092557
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	5.24
IP(EA), eV:	-8.52(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(CO)N(CC1=CC=CC=C1C)C(=O)C2CNNC2C

DOS

IR

Vibrations