Geometry & MOs

Info

ID:	166569
PubChem CID:	74711221
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	427.235873
ΔH_f, kcal/mol:	-176.52
Dipole, Da:	0.7
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropyl)-7-methyl-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=C(C=C1)C2C3=C(C(=O)N2CCOC)OC4CCCCC4C3=O

DOS

IR

Vibrations