Geometry & MOs

Info

ID:	429611
PubChem CID:	135169660
Reduced:	OF3N9H18C25 (1)
Stoich.:	AB3C9D18E25 (1)
Weight, g/mol:	355.094389
ΔH_f, kcal/mol:	19.87
Dipole, Da:	5.95
IP(EA), eV:	-8.94(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(8-fluoro-1,2-dihydroisoquinolin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CNC1=CC(=NN1C)C2=C(C=C(C=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CC=N5)C(F)(F)F)C#N

DOS

IR

Vibrations