Geometry & MOs

Info

ID:	242622
PubChem CID:	97857600
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-5.39
Dipole, Da:	3.07
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(1,3-benzoxazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2O1)N(C[C@@H]3CCCO3)CC4=CN=CC=C4

DOS

IR

Vibrations