Geometry & MOs

Info

ID:

88726

PubChem CID:

49956307

Reduced:

OSCl2N3C19H20 (1)

Stoich.:

ABC2D3E19F20 (1)

Weight, g/mol:

372.136646

ΔHf, kcal/mol:

66.94

Dipole, Da:

2.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750234

Charge, e:

 -1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methanamine;chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)C2=CC=C(O2)CNCCCSC3=NC=CC=N3.[Cl-]

DOS

IR

Vibrations