Geometry & MOs

Info

ID:

164786

PubChem CID:

74452729

Reduced:

FO2N3C16H23 (1)

Stoich.:

AB2C3D16E23 (1)

Weight, g/mol:

458.300539

ΔHf, kcal/mol:

-96.74

Dipole, Da:

5.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.010247

Charge, e:

 0

Chem-info

IUPAC name:

7-[(1-cyclohexyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

CCN(C)C(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC=C2F

DOS

IR

Vibrations