Geometry & MOs

Info

ID:	133756
PubChem CID:	51586433
Reduced:	FN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	315.08639
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	1.86
IP(EA), eV:	-9.11(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(6-methylpyridin-2-yl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=C(O1)CO)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

DOS

IR

Vibrations