Geometry & MOs

Info

ID:	184689
PubChem CID:	77192925
Reduced:	FPN5O5C12H17 (1)
Stoich.:	ABC5D5E12F17 (1)
Weight, g/mol:	449.090912
ΔH_f, kcal/mol:	-253.02
Dipole, Da:	4.2
IP(EA), eV:	-9.65(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[3-(2,3-dichlorophenoxy)-2,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C1C(COP(=O)(O1)O)OC(C)C2=CN=C3N2N=CN=C3N)F

DOS

IR

Vibrations