Geometry & MOs

Info

ID:	59698
PubChem CID:	24894032
Reduced:	FO2N4C31H35 (1)
Stoich.:	AB2C4D31E35 (1)
Weight, g/mol:	396.060088
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	5.13
IP(EA), eV:	-8.32(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CCN2C(=C(C(=O)N(C2=O)CCCCN3CCC(CC3)C4=CNC5=CC=CC=C54)C6=CC=CC=C6F)C1

DOS

IR

Vibrations