Geometry & MOs

Info

ID:	360255
PubChem CID:	127300898
Reduced:	O3N6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	365.188546
ΔH_f, kcal/mol:	-63.37
Dipole, Da:	7.69
IP(EA), eV:	-9.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CN3C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations