Geometry & MOs

Info

ID:	154429
PubChem CID:	56313864
Reduced:	O2F3N6C17H23 (1)
Stoich.:	A2B3C6D17E23 (1)
Weight, g/mol:	437.111789
ΔH_f, kcal/mol:	-194.75
Dipole, Da:	4.83
IP(EA), eV:	-9.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCCCN2C(=O)N3CCCCC3=N2)C(F)(F)F

DOS

IR

Vibrations