Geometry & MOs

Info

ID:	395600
PubChem CID:	135025942
Reduced:	N3C11H11 (1)
Stoich.:	A3B11C11 (1)
Weight, g/mol:	180.031302
ΔH_f, kcal/mol:	66.41
Dipole, Da:	1.85
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-deuteriotriazole

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C=CC3=C2C=NN3)C=N1

DOS

IR

Vibrations