Geometry & MOs

Info

ID:	355314
PubChem CID:	127288291
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	-33.99
Dipole, Da:	2.97
IP(EA), eV:	-9.27(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)NC1CC1)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations