Geometry & MOs

Info

ID:	348352
PubChem CID:	127273417
Reduced:	OS2N6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	322.132428
ΔH_f, kcal/mol:	32.97
Dipole, Da:	7.2
IP(EA), eV:	-8.7(-1.21)
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)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(S1)C=C(S2)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations