Geometry & MOs

Info

ID:	348377
PubChem CID:	127273442
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	326.141262
ΔH_f, kcal/mol:	-90.14
Dipole, Da:	5.21
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CCCN3C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations