Geometry & MOs

Info

ID:	293438
PubChem CID:	117388962
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-5.67
Dipole, Da:	2.91
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-isocyanatocyclobutyl)phenyl]-4-methyltriazole

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)C3(CCC3)N=C=O)C=CC=N2

DOS

IR

Vibrations