Geometry & MOs

Info

ID:	367153
PubChem CID:	127323569
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	3.98
IP(EA), eV:	-9.52(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3CC(=O)N(C3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations