Geometry & MOs

Info

ID:	399064
PubChem CID:	135037435
Reduced:	ClN2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	62.74
Dipole, Da:	3.31
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-tert-butyl-2-phenyl-5,6-dihydro-3H-[1,3]oxazolo[2,3-c][1,2,4]triazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C3N2C=C(C=C3)Cl

DOS

IR

Vibrations