Geometry & MOs

Info

ID:	88520
PubChem CID:	49955059
Reduced:	ClNOC18H23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	396.057439
ΔH_f, kcal/mol:	17.5
Dipole, Da:	0.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750035
Charge, e:	-2

Chem-info

IUPAC name:

1-[2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dichloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CNCC2=CC=C(C=C2)OC.[Cl-]

DOS

IR

Vibrations