Geometry & MOs

Info

ID:	429934
PubChem CID:	135169989
Reduced:	ClOF3N9H19C25 (1)
Stoich.:	ABC3D9E19F25 (1)
Weight, g/mol:	508.99604
ΔH_f, kcal/mol:	4.45
Dipole, Da:	12.34
IP(EA), eV:	-8.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-iodopyridin-3-yl)-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C3=CC=CC=C32)N4C(=C(C=N4)C(=O)NC5=CC(=C(N=C5)N6N=CC=N6)Cl)C(F)(F)F

DOS

IR

Vibrations