Geometry & MOs

Info

ID:	23963
PubChem CID:	607222
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-169.11
Dipole, Da:	4.85
IP(EA), eV:	-8.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(4-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C(=CNC=C2C(=O)OC)C(=O)OC

DOS

IR

Vibrations