Geometry & MOs

Info

ID:	293022
PubChem CID:	117370442
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-69.79
Dipole, Da:	3.26
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyloxy-1-(isocyanatomethyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)OC)C)C2(CC2)N=C=O

DOS

IR

Vibrations