Geometry & MOs

Info

ID:	156468
PubChem CID:	56370739
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	428.159689
ΔH_f, kcal/mol:	-11.18
Dipole, Da:	4.43
IP(EA), eV:	-8.96(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations