Geometry & MOs

Info

ID:	294488
PubChem CID:	117464054
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	2.24
IP(EA), eV:	-8.51(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isocyanatocyclobutyl)-3-methoxy-1,4-di(propan-2-yl)benzene

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)C4(CCCC4)CN

DOS

IR

Vibrations