Geometry & MOs

Info

ID:	36467
PubChem CID:	8007150
Reduced:	F2O2N4H16C19 (1)
Stoich.:	A2B2C4D16E19 (1)
Weight, g/mol:	408.196154
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	1.16
IP(EA), eV:	-8.34(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,4-dipropoxyphenyl)-5-(4-fluorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C[C@H](N3C(=N2)N=CN3)C4=CC(=C(C=C4)F)F)OC

DOS

IR

Vibrations