Geometry & MOs

Info

ID:	355322
PubChem CID:	127288299
Reduced:	N3C7H9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	102.78
Dipole, Da:	8.76
IP(EA), eV:	-9.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations