Geometry & MOs

Info

ID:	257938
PubChem CID:	103149253
Reduced:	BrNOF3C13H17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	249.190421
ΔH_f, kcal/mol:	-180.76
Dipole, Da:	2.71
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-N-methyl-1-(4-methylcyclohexyl)propan-1-amine

Drug info:

PubChemData

Smile

CNC(CCOCC(F)F)CC1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations