Geometry & MOs

Info

ID:	126801
PubChem CID:	50979569
Reduced:	ON2C24H26 (1)
Stoich.:	AB2C24D26 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	22.74
Dipole, Da:	1.83
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aS)-5-[(4-acetylphenyl)carbamoyl]-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC(=NC=C2)C3=CC=C(C=C3)CO)CCC4=CC=CC=C4

DOS

IR

Vibrations