Geometry & MOs

Info

ID:	60104
PubChem CID:	26675688
Reduced:	N2O3H14C19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	0.03
Dipole, Da:	4.43
IP(EA), eV:	-8.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[(2-methyl-5-propan-2-ylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C#N

DOS

IR

Vibrations