Geometry & MOs

Info

ID:	435483
PubChem CID:	135191593
Reduced:	FN5O5C26H28 (1)
Stoich.:	AB5C5D26E28 (1)
Weight, g/mol:	218.153147
ΔH_f, kcal/mol:	-73.82
Dipole, Da:	6.82
IP(EA), eV:	-8.45(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-2-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCCOF)NC2=C(C(=O)/C(=C/C3=CNC4=C3C=CC=N4)/O2)C(=O)OCCN(C)C

DOS

IR

Vibrations