Geometry & MOs

Info

ID:	348355
PubChem CID:	127273420
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	52.89
Dipole, Da:	4.92
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butanoyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)NC3CCC4=NC(=NN4C3)C)C

DOS

IR

Vibrations