Geometry & MOs

Info

ID:

88686

PubChem CID:

49956065

Reduced:

ClNO2C19H19 (1)

Stoich.:

ABC2D19E19 (1)

Weight, g/mol:

362.071459

ΔHf, kcal/mol:

68.76

Dipole, Da:

1.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.800450

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)CNCC3=CC=CO3.[Cl-]

DOS

IR

Vibrations