Geometry & MOs

Info

ID:	132652
PubChem CID:	51393291
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	70.87
Dipole, Da:	8.52
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-5-(3,4-dimethylphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC3=NC=NN3[C@@H](C2)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations