Geometry & MOs

Info

ID:	130904
PubChem CID:	51125587
Reduced:	ClO2N4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	337.088099
ΔH_f, kcal/mol:	4.21
Dipole, Da:	8.52
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-fluoro-N-[2-hydroxy-3-(3-methylphenoxy)propyl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations