Geometry & MOs

Info

ID:	262796
PubChem CID:	103318182
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	273.138974
ΔH_f, kcal/mol:	52.24
Dipole, Da:	4.15
IP(EA), eV:	-8.32(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=NCCC(N2N1)C(C)C)C3=CC=CC=C3

DOS

IR

Vibrations