Geometry & MOs

Info

ID:	171484
PubChem CID:	75383593
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	447.140591
ΔH_f, kcal/mol:	-192.04
Dipole, Da:	5.62
IP(EA), eV:	-9.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,3-dimethylphenoxy)propanoylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)N(CC)CC(=O)O

DOS

IR

Vibrations