Geometry & MOs

Info

ID:	39823
PubChem CID:	8142514
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	263.046154
ΔH_f, kcal/mol:	-147.09
Dipole, Da:	7.22
IP(EA), eV:	-9.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-[(4-chlorophenyl)methyl]-3a,6a-dihydro-3H-pyrrolo[3,4-c]pyrazole-4,6-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)/C=C\C(=O)NCC(=O)O)C

DOS

IR

Vibrations