Geometry & MOs

Info

ID:

146243

PubChem CID:

53659167

Reduced:

N3O6H17C20 (1)

Stoich.:

A3B6C17D20 (1)

Weight, g/mol:

637.224714

ΔHf, kcal/mol:

-164.37

Dipole, Da:

7.19

IP(EA), eV:

 -8.91(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 4-[2-[4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy]-5-nitrophenyl]-2-methyl-6-(trifluoromethyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)OC2=CC(=NC3=C2C=CC=C3O)C(=O)O)N)N

DOS

IR

Vibrations