Geometry & MOs

Info

ID:	335871
PubChem CID:	127254733
Reduced:	OSN5H21C24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	688.283463
ΔH_f, kcal/mol:	96.91
Dipole, Da:	10.77
IP(EA), eV:	-8.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dibenzylamino)-3-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol;dihydrochloride

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2)N3CC(=O)C(=C3N)C4=NC(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations