Geometry & MOs

Info

ID:	198260
PubChem CID:	79076669
Reduced:	BrClF3N3H4C10 (1)
Stoich.:	ABC3D3E4F10 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-65.82
Dipole, Da:	2.37
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-(diethylamino)propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1NC2=NC(=NC=C2Br)Cl)F)F)F

DOS

IR

Vibrations