Geometry & MOs

Info

ID:	293439
PubChem CID:	117388968
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	63.22
Dipole, Da:	3.29
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-isocyanatocyclopentyl)phenyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NN(N=C1)C2=CC=C(C=C2)C3(CCC3)N=C=O

DOS

IR

Vibrations