Geometry & MOs

Info

ID:

45111

PubChem CID:

10508113

Reduced:

ClN3O6C34H38 (1)

Stoich.:

AB3C6D34E38 (1)

Weight, g/mol:

583.268236

ΔHf, kcal/mol:

-131.23

Dipole, Da:

21.92

IP(EA), eV:

 -7.99(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-[2-[3,3-diphenylpropyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OCC[NH+](C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.[Cl-]

DOS

IR

Vibrations