Geometry & MOs

Info

ID:	268723
PubChem CID:	103600639
Reduced:	BrNOF2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	256.102334
ΔH_f, kcal/mol:	-124.86
Dipole, Da:	2.61
IP(EA), eV:	-9.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(F)F)Br

DOS

IR

Vibrations