Geometry & MOs

Info

ID:	291706
PubChem CID:	113460172
Reduced:	BrClFH15C16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	279.058155
ΔH_f, kcal/mol:	-27.77
Dipole, Da:	2.25
IP(EA), eV:	-9.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(3-chloro-2-methyl-3-phenylpropyl)pyridine

Drug info:

PubChemData

Smile

CC(CC1=C(C=C(C=C1)Br)F)C(C2=CC=CC=C2)Cl

DOS

IR

Vibrations