Geometry & MOs

Info

ID:	293020
PubChem CID:	117370427
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-77.54
Dipole, Da:	4.57
IP(EA), eV:	-8.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-(1-isocyanatocyclopropyl)-1,4-dimethoxybenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations