Geometry & MOs

Info

ID:	264594
PubChem CID:	103473416
Reduced:	O2N5H7C13 (1)
Stoich.:	A2B5C7D13 (1)
Weight, g/mol:	330.075818
ΔH_f, kcal/mol:	129.23
Dipole, Da:	5.07
IP(EA), eV:	-9.71(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2C3=NC(=C(C=C3)[N+](=O)[O-])C#N

DOS

IR

Vibrations