Geometry & MOs

Info

ID:	258022
PubChem CID:	103150006
Reduced:	BrNOF2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	291.237371
ΔH_f, kcal/mol:	-146.21
Dipole, Da:	2.53
IP(EA), eV:	-9.15(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(2-ethylcyclohexyl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)F)CC1=CC(=CC=C1)Br

DOS

IR

Vibrations