Geometry & MOs

Info

ID:	63312
PubChem CID:	26750569
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-171.93
Dipole, Da:	4.59
IP(EA), eV:	-9.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations