Geometry & MOs

Info

ID:	405875
PubChem CID:	135075773
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	295.02416
ΔH_f, kcal/mol:	-119.39
Dipole, Da:	4.96
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-4-bromo-6-(2-methylpropyl)-1-methylsulfonyl-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/C2=CC=CC=C2CC(O1)(C)C

DOS

IR

Vibrations