Geometry & MOs

Info

ID:	38575
PubChem CID:	8137114
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-107.21
Dipole, Da:	5.94
IP(EA), eV:	-8.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)/C=C/C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations