Geometry & MOs

Info

ID:	161196
PubChem CID:	57391018
Reduced:	OSN2C8H11 (2)
Stoich.:	ABC2D8E11 (2)
Weight, g/mol:	425.175771
ΔH_f, kcal/mol:	-7.23
Dipole, Da:	4.3
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(benzylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)NCCCCCNC2=NC(=CS2)C3=CC=CC=N3

DOS

IR

Vibrations