Geometry & MOs

Info

ID:	242621
PubChem CID:	97857597
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	3.93
IP(EA), eV:	-9.38(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC/C=C/C1=CC=CC=C1)O

DOS

IR

Vibrations