Geometry & MOs

Info

ID:	132512
PubChem CID:	51373107
Reduced:	N2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	322.122989
ΔH_f, kcal/mol:	121.46
Dipole, Da:	5.56
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2[C@@H](CC(=NC2=N1)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations