Geometry & MOs

Info

ID:	77524
PubChem CID:	49649927
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	395.064839
ΔH_f, kcal/mol:	-99.14
Dipole, Da:	8.81
IP(EA), eV:	-9.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-3-cyclobutyl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)C(C#N)C(=O)C3CCC3

DOS

IR

Vibrations