Geometry & MOs

Info

ID:	141608
PubChem CID:	52901586
Reduced:	OSF3N6H11C15 (1)
Stoich.:	ABC3D6E11F15 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	4.94
IP(EA), eV:	-9.64(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-2-methyl-N-(1-methylpyrazol-4-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=NN3C(=NN=C3S2)CC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations