Geometry & MOs

Info

ID:	348347
PubChem CID:	127273412
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	324.133474
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	7.41
IP(EA), eV:	-9.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations