Geometry & MOs

Info

ID:	264701
PubChem CID:	103483803
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	7.84
Dipole, Da:	4.41
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)N1C=CC(=N1)CN2C=NC3=C(C2=O)CCNC3

DOS

IR

Vibrations