Geometry & MOs

Info

ID:

187073

PubChem CID:

77528509

Reduced:

FN6C25H29 (1)

Stoich.:

AB6C25D29 (1)

Weight, g/mol:

501.160139

ΔHf, kcal/mol:

72.72

Dipole, Da:

3.23

IP(EA), eV:

 -8.5(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-methyl-4-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;hydrochloride

Drug info:

PubChemData

Smile

CC1C(CNN1)C(C2=CC=CC=C2)N3CCN(CC3)C4=NC=CN=C4C5=CC=C(C=C5)F

DOS

IR

Vibrations