Geometry & MOs

Info

ID:	88523
PubChem CID:	49955103
Reduced:	OCl2N2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	496.066803
ΔH_f, kcal/mol:	60.65
Dipole, Da:	1.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-2

Chem-info

IUPAC name:

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=CC(=C2)CNCC3=CC=CC=N3)Cl.[Cl-]

DOS

IR

Vibrations