Geometry & MOs

Info

ID:	293019
PubChem CID:	117370423
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	3.24
IP(EA), eV:	-9.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-isocyanatocyclopropyl)-2-methoxy-5-propan-2-ylphenol

Drug info:

PubChemData

Smile

COCC(C1=CC(=CC=C1)C2(CC2)N=C=O)OC

DOS

IR

Vibrations