Geometry & MOs

Info

ID:	294614
PubChem CID:	117474000
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	293.118257
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	4.34
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-1-chloro-3-(1-isocyanatocyclobutyl)-2-methoxybenzene

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC(=C1C3(CCC3)N=C=O)Cl)OCO2

DOS

IR

Vibrations