Geometry & MOs

Info

ID:	191003
PubChem CID:	78092887
Reduced:	NO7C27H33 (1)
Stoich.:	AB7C27D33 (1)
Weight, g/mol:	485.204967
ΔH_f, kcal/mol:	-255.36
Dipole, Da:	5.13
IP(EA), eV:	-8.33(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] morpholine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC(=O)N4CCCCC4)OC)OC

DOS

IR

Vibrations