Geometry & MOs

Info

ID:	43567
PubChem CID:	10321479
Reduced:	NO8C23H31 (1)
Stoich.:	AB8C23D31 (1)
Weight, g/mol:	449.204967
ΔH_f, kcal/mol:	-320.91
Dipole, Da:	2.52
IP(EA), eV:	-8.24(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-methyl 5-O-[3-(3,4,5-trimethoxyphenoxy)propyl] 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(CCC2(C1)OCCO2)N[C@@H](CC3=CC(=C(C=C3)OC)OC)C(=O)OC

DOS

IR

Vibrations