Geometry & MOs

Info

ID:	437513
PubChem CID:	135226486
Reduced:	F2O3N7C28H29 (1)
Stoich.:	A2B3C7D28E29 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	5.65
IP(EA), eV:	-9.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(2-methoxyethyl)-5-methylbenzamide

Drug info:

PubChemData

Smile

CCCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CN=C(N=C5)OC)C

DOS

IR

Vibrations