Geometry & MOs

Info

ID:	364619
PubChem CID:	127315871
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	6.6
IP(EA), eV:	-8.42(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NC2=C(N=C(C=C2)OC)N3CCN(CC3)C(=O)C)C

DOS

IR

Vibrations