Geometry & MOs

Info

ID:	399491
PubChem CID:	135040539
Reduced:	OC8H14 (2)
Stoich.:	AB8C14 (2)
Weight, g/mol:	247.139471
ΔH_f, kcal/mol:	-110.63
Dipole, Da:	1.61
IP(EA), eV:	-10.05(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(2-methylprop-2-enyl)-3-prop-2-enyl-2-prop-2-enylsulfanyl-3,4-dihydropyridine

Drug info:

PubChemData

Smile

CCCCCCC#CC(C)(C(C)C)C(=O)OCC

DOS

IR

Vibrations