Geometry & MOs

Info

ID:	433120
PubChem CID:	135173257
Reduced:	O2N7C20H25 (1)
Stoich.:	A2B7C20D25 (1)
Weight, g/mol:	178.085461
ΔH_f, kcal/mol:	42.09
Dipole, Da:	5.57
IP(EA), eV:	-8.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,7-trimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

Drug info:

PubChemData

Smile

CC1=CN2C(N(N=C2N=C1N3CCC(CC3)OC4=CC5=C(C=C4)N(N=C5)C)C)O

DOS

IR

Vibrations