Geometry & MOs

Info

ID:	271588
PubChem CID:	103684870
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	1.01
IP(EA), eV:	-8.91(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-bromo-4-methoxyphenyl)methylamino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC2CCCCC2CO

DOS

IR

Vibrations