Geometry & MOs

Info

ID:	28626
PubChem CID:	828685
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	65.76
Dipole, Da:	5.63
IP(EA), eV:	-9.05(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-7-(furan-2-yl)-5-(4-methylphenyl)-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