Geometry & MOs

Info

ID:	161205
PubChem CID:	57391033
Reduced:	FON5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	409.182
ΔH_f, kcal/mol:	1.7
Dipole, Da:	1.96
IP(EA), eV:	-8.55(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-(4-fluorophenyl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC(=NC3=C2OC4=C3C(=CC=C4)F)N

DOS

IR

Vibrations