Geometry & MOs

Info

ID:	256894
PubChem CID:	103142213
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	284.127326
ΔH_f, kcal/mol:	-59.24
Dipole, Da:	5.15
IP(EA), eV:	-9.86(1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroisoquinoline

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCCCCC2)C#N

DOS

IR

Vibrations