Geometry & MOs

Info

ID:	249570
PubChem CID:	103090542
Reduced:	NSO2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	2.97
IP(EA), eV:	-8.67(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(aminomethyl)-2,4-dihydrochromen-3-yl]-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CSCCCC(C1(CCOCC1)C#N)O

DOS

IR

Vibrations