Geometry & MOs

Info

ID:	292929
PubChem CID:	117365386
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-54.02
Dipole, Da:	4.19
IP(EA), eV:	-9.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-isocyanatocyclobutyl)-5-methyl-2-propan-2-ylphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations