Geometry & MOs

Info

ID:	427559
PubChem CID:	135159864
Reduced:	NC9H17 (1)
Stoich.:	AB9C17 (1)
Weight, g/mol:	521.146779
ΔH_f, kcal/mol:	0.79
Dipole, Da:	1.82
IP(EA), eV:	-8.05(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-6-(2-propyltriazol-4-yl)sulfanyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(1,3-thiazol-2-yl)methanone

Drug info:

PubChemData

Smile

CCC/C=C\C(=C/NC)\C

DOS

IR

Vibrations