Geometry & MOs

Info

ID:	159914
PubChem CID:	57298372
Reduced:	O5C24H34 (1)
Stoich.:	A5B24C34 (1)
Weight, g/mol:	509.131776
ΔH_f, kcal/mol:	-201.26
Dipole, Da:	8.85
IP(EA), eV:	-9.69(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-4-[4-(difluoromethoxy)phenyl]-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazole-1-carboxamide

Drug info:

PubChemData

Smile

CCC=CC(C)(CC=C[C@H]1C=CC(=O)[C@@H]1CC=CCCCC(=O)COC(=O)C)O

DOS

IR

Vibrations