Geometry & MOs

Info

ID:	28705
PubChem CID:	829059
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	254.123069
ΔH_f, kcal/mol:	-2.64
Dipole, Da:	1.03
IP(EA), eV:	-8.42(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-difluoro-2-methylphenyl)-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C\2/C(=NO)C3CCN2CC3

DOS

IR

Vibrations