Geometry & MOs

Info

ID:	141346
PubChem CID:	52864309
Reduced:	ClNO2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	359.165207
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	3.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137500
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C[NH+](CC2=CC=C(C=C2)Cl)C3CCC(CC3)O

DOS

IR

Vibrations