Geometry & MOs

Info

ID:	142118
PubChem CID:	52984929
Reduced:	BrClN2O2C20H24 (1)
Stoich.:	ABC2D2E20F24 (1)
Weight, g/mol:	444.194648
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	2.27
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2Br)N3CCCC3.Cl

DOS

IR

Vibrations