Geometry & MOs

Info

ID:

185971

PubChem CID:

77374093

Reduced:

O2C7H13 (6)

Stoich.:

A2B7C13 (6)

Weight, g/mol:

630.174701

ΔHf, kcal/mol:

-663.4

Dipole, Da:

4.63

IP(EA), eV:

 -9.72(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;5-O-methyl 3-O-(2-methylpropyl) 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC(CO)C1C(C(CO1)O)O.CCCCCCCCC=CCCCCCCCC(=O)OC(CO)C1C(C(CO1)O)O

DOS

IR

Vibrations