Geometry & MOs

Info

ID:	293291
PubChem CID:	117382560
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	251.071306
ΔH_f, kcal/mol:	9.7
Dipole, Da:	1.98
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(1-isocyanatocyclopentyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)OC)C2=C(N(N=C2)C)N

DOS

IR

Vibrations