Geometry & MOs

Info

ID:	257982
PubChem CID:	103149586
Reduced:	BrNOF3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	263.206071
ΔH_f, kcal/mol:	-181.88
Dipole, Da:	1.83
IP(EA), eV:	-9.17(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)F)CC1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations