Geometry & MOs

Info

ID:

151479

PubChem CID:

53812489

Reduced:

O4C23H32 (1)

Stoich.:

A4B23C32 (1)

Weight, g/mol:

517.364148

ΔHf, kcal/mol:

-203.9

Dipole, Da:

3.19

IP(EA), eV:

 -9.32(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

dimethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-[4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]cyclohexyl]azanium

Drug info:

PubChemData

Smile

CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3CCC(=O)C4)C)C(=O)C

DOS

IR

Vibrations