Geometry & MOs

Info

ID:	34454
PubChem CID:	7978485
Reduced:	F2N3O5H15C18 (1)
Stoich.:	A2B3C5D15E18 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-198.06
Dipole, Da:	3.4
IP(EA), eV:	-9.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C#N)OC(F)F

DOS

IR

Vibrations