Geometry & MOs

Info

ID:	136034
PubChem CID:	51969093
Reduced:	ClN4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	416.213364
ΔH_f, kcal/mol:	73.72
Dipole, Da:	2.86
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNC2=C(C=CC=N2)C#N)C3=CC=CC=C3Cl

DOS

IR

Vibrations