Geometry & MOs

Info

ID:

164933

PubChem CID:

74474313

Reduced:

O4N5C18H25 (1)

Stoich.:

A4B5C18D25 (1)

Weight, g/mol:

524.311104

ΔHf, kcal/mol:

-65.94

Dipole, Da:

4.68

IP(EA), eV:

 -8.91(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[(4-methylphenyl)methyl-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]amino]methyl]-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC(COC3=CC=CC=C3)O

DOS

IR

Vibrations