Geometry & MOs

Info

ID:

46918

PubChem CID:

10528369

Reduced:

O3C31H50 (1)

Stoich.:

A3B31C50 (1)

Weight, g/mol:

471.168188

ΔHf, kcal/mol:

-210.34

Dipole, Da:

1.77

IP(EA), eV:

 -9.22(0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-methyl 5-O-prop-2-enyl 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CC[C@]2([C@H]1CC(=O)[C@@H]3C2=CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C)C)OC(=O)C

DOS

IR

Vibrations