Geometry & MOs

Info

ID:	294302
PubChem CID:	117452282
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	3.96
IP(EA), eV:	-9.27(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-ethyl-2-(1-isocyanatocyclobutyl)-6-methoxyphenol

Drug info:

PubChemData

Smile

COCC1=C(C(=CC(=C1)Cl)OC)C2(CCC2)N=C=O

DOS

IR

Vibrations