Geometry & MOs

Info

ID:	23958
PubChem CID:	607206
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-135.09
Dipole, Da:	3.57
IP(EA), eV:	-8.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CNC=C(C1C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations