Geometry & MOs

Info

ID:	207046
PubChem CID:	80338099
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	3.82
IP(EA), eV:	-8.52(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(2-methoxyethylsulfanyl)pyridin-4-yl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)CN2CCC3=C(C2=O)C=C(C=C3)N

DOS

IR

Vibrations