Geometry & MOs

Info

ID:	293021
PubChem CID:	117370433
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	2.83
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatocyclopropyl)-3,4-dimethoxy-2,5-dimethylbenzene

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1C2(CC2)N=C=O)OC)OC

DOS

IR

Vibrations