Geometry & MOs

Info

ID:	285006
PubChem CID:	104090275
Reduced:	NSO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	192.162649
ΔH_f, kcal/mol:	-147.41
Dipole, Da:	7.55
IP(EA), eV:	-10.0(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-pent-4-ynyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

Drug info:

PubChemData

Smile

C#CCCCN1CCS(=O)(=O)CC1CC(=O)O

DOS

IR

Vibrations