Geometry & MOs

Info

ID:	202192
PubChem CID:	79640891
Reduced:	NO3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	257.122735
ΔH_f, kcal/mol:	-179.15
Dipole, Da:	3.33
IP(EA), eV:	-9.19(1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-3-(2,3-difluorophenoxy)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C)NC1(CCCC(C1)OCC2CCOCC2)CO

DOS

IR

Vibrations