Geometry & MOs

Info

ID:	403049
PubChem CID:	135058523
Reduced:	N5H13C18 (1)
Stoich.:	A5B13C18 (1)
Weight, g/mol:	283.05124
ΔH_f, kcal/mol:	157.46
Dipole, Da:	6.44
IP(EA), eV:	-9.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN3C(=NN=C3C4=CC=CC=C42)CC#N

DOS

IR

Vibrations