Geometry & MOs

Info

ID:	368465
PubChem CID:	127328776
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	309.162332
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	6.49
IP(EA), eV:	-8.89(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)N3CCCC(C3)CN4C(=NC(=N4)C)C)(C)C

DOS

IR

Vibrations