Geometry & MOs

Info

ID:	88533
PubChem CID:	49955176
Reduced:	ClON2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	376.087109
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	2.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.983806
Charge, e:	-1

Chem-info

IUPAC name:

2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations