Geometry & MOs

Info

ID:

192162

PubChem CID:

78234629

Reduced:

FO3N6C30H37 (1)

Stoich.:

AB3C6D30E37 (1)

Weight, g/mol:

574.326754

ΔHf, kcal/mol:

-69.32

Dipole, Da:

9.49

IP(EA), eV:

 -8.66(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1,3-benzodioxol-5-ylmethyl-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]amino]methyl]-7,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CC2=CC=C(C=C2)F)N(CC3CC4CCC(CC4NC3=O)C)CC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations