Geometry & MOs

Info

ID:	162400
PubChem CID:	57394550
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	425.18025
ΔH_f, kcal/mol:	27.28
Dipole, Da:	2.32
IP(EA), eV:	-8.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(benzylamino)-2-hydroxypropoxy]-5-fluorophenyl]-3-(4-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=NC3=C2SC4=C3C=CC(=C4)OC)N

DOS

IR

Vibrations