Geometry & MOs

Info

ID:	274192
PubChem CID:	103807640
Reduced:	BrClNOF2H9C14 (1)
Stoich.:	ABCDE2F9G14 (1)
Weight, g/mol:	282.155512
ΔH_f, kcal/mol:	-96.71
Dipole, Da:	2.49
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminocyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(=O)NC2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations