Geometry & MOs

Info

ID:	31133
PubChem CID:	854711
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	344.059552
ΔH_f, kcal/mol:	-66.56
Dipole, Da:	1.24
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)NC3=CC=CC=C3

DOS

IR

Vibrations