Geometry & MOs

Info

ID:	88528
PubChem CID:	49955149
Reduced:	OCl2N2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	277.110766
ΔH_f, kcal/mol:	54.1
Dipole, Da:	3.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.067021
Charge, e:	-1

Chem-info

IUPAC name:

1-phenyl-2-(pyridin-2-ylmethylamino)propan-1-ol;chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)C2=CC=C(O2)CNCC3=CC=CC=N3.[Cl-]

DOS

IR

Vibrations