Geometry & MOs

Info

ID:	217519
PubChem CID:	85087935
Reduced:	BrFN2O2C16H20 (1)
Stoich.:	ABC2D2E16F20 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-117.16
Dipole, Da:	5.06
IP(EA), eV:	-8.75(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[3-(4-methylphenyl)pyrazolidin-4-yl]pyrimidin-2-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCN1CC(CC1CNC(=O)C2=CC(=CC3=C2OCC3)Br)F

DOS

IR

Vibrations