Geometry & MOs

Info

ID:	191518
PubChem CID:	78156328
Reduced:	N2O7H30C37 (1)
Stoich.:	A2B7C30D37 (1)
Weight, g/mol:	494.210467
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	3.69
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-[2-(4-fluorophenyl)ethoxy]-3-methoxyphenyl]methyl]oxolan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)C(=CC2=CN(NC2=C3C=CC=CC3=O)C4=CC=CC=C4)C(=O)C=CC5=CC(=C(C=C5)O)OC)O

DOS

IR

Vibrations