Geometry & MOs

Info

ID:	164109
PubChem CID:	74382025
Reduced:	ClOSF3N4C20H20 (1)
Stoich.:	ABCD3E4F20G20 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	5.19
IP(EA), eV:	-9.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyridin-3-yl)-[6-(3-propan-2-ylpiperazin-1-yl)pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)NC(CC2=CC=CC=C2C(F)(F)F)CN)C3=C(C=NN3C)Cl

DOS

IR

Vibrations