Geometry & MOs

Info

ID:	193230
PubChem CID:	78359834
Reduced:	FN2O5C26H33 (1)
Stoich.:	AB2C5D26E33 (1)
Weight, g/mol:	435.144865
ΔH_f, kcal/mol:	-197.16
Dipole, Da:	2.32
IP(EA), eV:	-8.55(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CCN(C)C)OC4CCC(CC4C3=O)F)OCC=C

DOS

IR

Vibrations