Geometry & MOs

Info

ID:	192365
PubChem CID:	78261548
Reduced:	NO6H27C28 (1)
Stoich.:	AB6C27D28 (1)
Weight, g/mol:	475.199488
ΔH_f, kcal/mol:	-143.72
Dipole, Da:	1.99
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC(=C1)C2C3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)OC6CCCCC6C3=O

DOS

IR

Vibrations