Geometry & MOs

Info

ID:	163165
PubChem CID:	57646681
Reduced:	FN3S3O4H16C19 (1)
Stoich.:	AB3C3D4E16F19 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-34.96
Dipole, Da:	6.27
IP(EA), eV:	-8.35(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(methoxymethyl)triazol-1-yl]-6-piperidin-4-yloxyisoquinoline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=C(C=C3)SOON)F

DOS

IR

Vibrations