Geometry & MOs

Info

ID:	175667
PubChem CID:	75933511
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	377.171497
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	4.87
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-difluoro-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)OCC=CC2=CC=CC=C2)O)O

DOS

IR

Vibrations