Geometry & MOs

Info

ID:	82756
PubChem CID:	49856466
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-54.27
Dipole, Da:	3.68
IP(EA), eV:	-9.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-hydroxypropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(C)NC(=O)[C@H](CC2=CN=CN2)N

DOS

IR

Vibrations