Geometry & MOs

Info

ID:	173087
PubChem CID:	75594722
Reduced:	ON5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	338.13972
ΔH_f, kcal/mol:	116.29
Dipole, Da:	10.89
IP(EA), eV:	-7.96(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C3C(=O)N=C4C=CC=CC4=N3)N=C(N2)C

DOS

IR

Vibrations