Geometry & MOs

Info

ID:	28627
PubChem CID:	828687
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	334.038816
ΔH_f, kcal/mol:	66.78
Dipole, Da:	5.81
IP(EA), eV:	-9.02(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-5-(3,4-dichlorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C[C@@H](N3C(=NC=N3)N2)C4=CC=CO4

DOS

IR

Vibrations