Geometry & MOs

Info

ID:	132513
PubChem CID:	51373237
Reduced:	FON4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	322.122989
ΔH_f, kcal/mol:	41.4
Dipole, Da:	6.1
IP(EA), eV:	-9.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-fluorophenyl)-5-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=NC=NN3[C@@H](C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations