Geometry & MOs

Info

ID:	172312
PubChem CID:	75496778
Reduced:	BrNF2O2H10C13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-132.11
Dipole, Da:	1.28
IP(EA), eV:	-9.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methoxyphenyl)methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=O)N(C=C1Br)CC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations