Geometry & MOs

Info

ID:	262785
PubChem CID:	103317201
Reduced:	ClF3N4H12C13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	5.34
IP(EA), eV:	-9.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-yl)-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1CC(N2C(=N1)N=C(N2)C3=CC(=CC=C3)Cl)C(F)(F)F

DOS

IR

Vibrations