Geometry & MOs

Info

ID:	429909
PubChem CID:	135169963
Reduced:	OSCl2F3N8H11C19 (1)
Stoich.:	ABC2D3E8F11G19 (1)
Weight, g/mol:	334.104146
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	5.91
IP(EA), eV:	-9.16(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(dimethylamino)isoquinolin-4-yl]-5-(trifluoromethyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CN=C2Cl)N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F

DOS

IR

Vibrations