Geometry & MOs

Info

ID:	88531
PubChem CID:	49955173
Reduced:	NCl2O2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	436.063787
ΔH_f, kcal/mol:	15.31
Dipole, Da:	1.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNCC2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations