Geometry & MOs

Info

ID:

1220

PubChem CID:

4008

Reduced:

N4O6C35H38 (1)

Stoich.:

A4B6C35D38 (1)

Weight, g/mol:

610.279135

ΔHf, kcal/mol:

-97.18

Dipole, Da:

7.82

IP(EA), eV:

 -8.26(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-[2-(4-benzhydrylpiperazin-1-yl)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)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations