Geometry & MOs

Info

ID:	414394
PubChem CID:	135087351
Reduced:	ClN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-71.34
Dipole, Da:	7.47
IP(EA), eV:	-8.89(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethylphenoxy)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC)Cl

DOS

IR

Vibrations