Geometry & MOs

Info

ID:	293944
PubChem CID:	117418505
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	265.086956
ΔH_f, kcal/mol:	1.47
Dipole, Da:	4.86
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-ethyl-1-(1-isocyanatocyclobutyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1)C2=C(NN=C2)N)Cl)OC

DOS

IR

Vibrations