Geometry & MOs

Info

ID:	348749
PubChem CID:	127273860
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	4.45
IP(EA), eV:	-9.37(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CCCN3C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations