Geometry & MOs

Info

ID:	355325
PubChem CID:	127288302
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	270.159295
ΔH_f, kcal/mol:	75.2
Dipole, Da:	9.32
IP(EA), eV:	-9.35(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1CN2CCC3=CN=CN=C3C2)C

DOS

IR

Vibrations