Geometry & MOs

Info

ID:	292032
PubChem CID:	114147665
Reduced:	ClNOBr2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	301.105641
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	4.31
IP(EA), eV:	-10.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorocyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)Cl)CNC(=O)C2=CC(=CC(=C2)Br)Br

DOS

IR

Vibrations