Geometry & MOs

Info

ID:	207021
PubChem CID:	80334647
Reduced:	N3C16H27 (1)
Stoich.:	A3B16C27 (1)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	1.58
IP(EA), eV:	-8.14(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(1-oxo-1,4-thiazinan-4-yl)pyridin-4-yl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=NC=C1)N2CCC(CC2)C(C)(C)C)N

DOS

IR

Vibrations