Geometry & MOs

Info

ID:	271614
PubChem CID:	103685874
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	256.10342
ΔH_f, kcal/mol:	-45.64
Dipole, Da:	2.69
IP(EA), eV:	-8.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-prop-2-ynylsulfanyl-N-(quinolin-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

C#CCSCCNCC1=CC2=C(C=C1O)OCO2

DOS

IR

Vibrations