Geometry & MOs

Info

ID:	121053
PubChem CID:	50754338
Reduced:	SF2O2N7H17C23 (1)
Stoich.:	AB2C2D7E17F23 (1)
Weight, g/mol:	304.132411
ΔH_f, kcal/mol:	7.69
Dipole, Da:	5.46
IP(EA), eV:	-8.18(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylphenoxy)methyl]-[1,2,4]triazolo[1,5-c]quinazoline

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C4=NC(=NN4C=N3)C5=CC(=NN5)C6=CC(=C(C=C6)OC)OC)C(F)F

DOS

IR

Vibrations