Geometry & MOs

Info

ID:	150363
PubChem CID:	53790052
Reduced:	O7C14H26 (1)
Stoich.:	A7B14C26 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-317.92
Dipole, Da:	2.33
IP(EA), eV:	-9.87(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(prop-2-ynyl) 2,6-dimethyl-4-phenyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCC(C(C(=O)C(=O)[C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations