Geometry & MOs

Info

ID:	355324
PubChem CID:	127288301
Reduced:	N3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	71.67
Dipole, Da:	6.15
IP(EA), eV:	-9.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)CN2CCC3=CN=CN=C3C2

DOS

IR

Vibrations