Geometry & MOs

Info

ID:	28656
PubChem CID:	828813
Reduced:	ClNF2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	5.02
IP(EA), eV:	-8.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H](C(C2=O)(F)F)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations