Geometry & MOs

Info

ID:	206097
PubChem CID:	80202533
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	296.17002
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	4.35
IP(EA), eV:	-9.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C(=O)O)NCC2=CC=CC=C2)F

DOS

IR

Vibrations