Geometry & MOs

Info

ID:	46796
PubChem CID:	10527402
Reduced:	NO5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	447.204573
ΔH_f, kcal/mol:	-117.45
Dipole, Da:	2.37
IP(EA), eV:	-8.22(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-methyl-6-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2CC3=CC(=C(C=C3[C@@H]4N2[C@H](CO4)C5=CC=CC=C5)OC)OC)OC

DOS

IR

Vibrations