Geometry & MOs

Info

ID:	84381
PubChem CID:	49866108
Reduced:	N3Cl4O7H21C26 (1)
Stoich.:	A3B4C7D21E26 (1)
Weight, g/mol:	363.099475
ΔH_f, kcal/mol:	-230.61
Dipole, Da:	4.64
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1O[C@H]([C@@H](O1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O)C(=O)NC4=C(C=NC=C4Cl)Cl

DOS

IR

Vibrations