Geometry & MOs

Info

ID:	127097
PubChem CID:	50990625
Reduced:	O2F3C5H7 (1)
Stoich.:	A2B3C5D7 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-252.83
Dipole, Da:	2.73
IP(EA), eV:	-10.38(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1COCC1(C(F)(F)F)O

DOS

IR

Vibrations