Geometry & MOs

Info

ID:	156092
PubChem CID:	56369112
Reduced:	BrClON2F4H8C14 (1)
Stoich.:	ABCD2E4F8G14 (1)
Weight, g/mol:	422.03967
ΔH_f, kcal/mol:	-193.23
Dipole, Da:	2.49
IP(EA), eV:	-10.2(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chloropyridin-3-yl)-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(F)(F)F)CNC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations