Geometry & MOs

Info

ID:	156557
PubChem CID:	56371125
Reduced:	FO3N6H19C23 (1)
Stoich.:	AB3C6D19E23 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	7.51
IP(EA), eV:	-8.96(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CN3C=NN=C3C=C2)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations