Geometry & MOs

Info

ID:	192315
PubChem CID:	78256048
Reduced:	FN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	485.277738
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	17.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764144
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC=CC=C4F)CCC[NH+]5CCOCC5

DOS

IR

Vibrations