Geometry & MOs

Info

ID:	245748
PubChem CID:	103023483
Reduced:	ClFO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-140.42
Dipole, Da:	2.38
IP(EA), eV:	-9.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC1=C(C(=CC=C1)F)Cl)OC

DOS

IR

Vibrations