Geometry & MOs

Info

ID:	167911
PubChem CID:	74896250
Reduced:	NO6C25H33 (1)
Stoich.:	AB6C25D33 (1)
Weight, g/mol:	457.246438
ΔH_f, kcal/mol:	-232.84
Dipole, Da:	1.2
IP(EA), eV:	-8.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCCO)OC4CCC(CC4C3=O)C)OCC

DOS

IR

Vibrations