Geometry & MOs

Info

ID:	265243
PubChem CID:	103514243
Reduced:	OF2N2C8H14 (1)
Stoich.:	AB2C2D8E14 (1)
Weight, g/mol:	178.091769
ΔH_f, kcal/mol:	-155.23
Dipole, Da:	2.18
IP(EA), eV:	-9.66(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-1-[(3S)-3-methylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C(=O)C(F)F

DOS

IR

Vibrations