Geometry & MOs

Info

ID:	31134
PubChem CID:	854713
Reduced:	Cl2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	344.059552
ΔH_f, kcal/mol:	88.12
Dipole, Da:	4.61
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,7R)-5,7-bis(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1[C@@H](NC2=NC=NN2[C@@H]1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations