Geometry & MOs

Info

ID:	85246
PubChem CID:	49872949
Reduced:	FN2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	437.16608
ΔH_f, kcal/mol:	121.87
Dipole, Da:	2.06
IP(EA), eV:	-8.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-(2-butanoyloxy-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C#CCN(CC#C)/N=C/CC1=CC=CC=C1F

DOS

IR

Vibrations