Geometry & MOs

Info

ID:	291647
PubChem CID:	113455739
Reduced:	BrNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	329.05459
ΔH_f, kcal/mol:	-3.57
Dipole, Da:	2.6
IP(EA), eV:	-9.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(2-chloro-5-propylcyclohexyl)methyl]pyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)OCC2=CC(=CN=C2)Br

DOS

IR

Vibrations