Geometry & MOs

Info

ID:	298019
PubChem CID:	117646994
Reduced:	FN2O2H13C17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	5.53
IP(EA), eV:	-9.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-2-hydroxy-N-[(2S)-2-hydroxypropyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=N2)C(=O)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations