Geometry & MOs

Info

ID:

45110

PubChem CID:

10508100

Reduced:

N2O6C37H50 (1)

Stoich.:

A2B6C37D50 (1)

Weight, g/mol:

619.244914

ΔHf, kcal/mol:

-199.96

Dipole, Da:

5.27

IP(EA), eV:

 -9.36(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3-diphenylpropyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxyethyl]-methylazanium;chloride

Drug info:

PubChemData

Smile

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC(=N)N)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations