Geometry & MOs

Info

ID:	144305
PubChem CID:	53347166
Reduced:	ClNO4C23H35 (1)
Stoich.:	ABC4D23E35 (1)
Weight, g/mol:	459.100901
ΔH_f, kcal/mol:	-164.54
Dipole, Da:	4.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.826987
Charge, e:	-1

Chem-info

IUPAC name:

N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;chloride

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(CN(CCO)CCO)O.[Cl-]

DOS

IR

Vibrations