Geometry & MOs

Info

ID:	166571
PubChem CID:	74711223
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	413.220223
ΔH_f, kcal/mol:	-182.6
Dipole, Da:	1.73
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropyl)-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2CCOC)OC4CCC(CC4C3=O)C

DOS

IR

Vibrations