Geometry & MOs

Info

ID:	426268
PubChem CID:	135143054
Reduced:	OC27H46 (1)
Stoich.:	AB27C46 (1)
Weight, g/mol:	241.095892
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	1.83
IP(EA), eV:	-9.21(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylbutan-2-yldisulfanyl)-5-methylpyridine

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)C1CCC2C1CCC3[C@]2(CC=C4[C@@]3(CC[C@@H](C4)O)C)C

DOS

IR

Vibrations