Geometry & MOs

Info

ID:	294303
PubChem CID:	117452290
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-98.25
Dipole, Da:	6.15
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(1-isocyanatocyclopentyl)-2,5-dimethoxybenzene

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1Cl)C2(CCC2)N=C=O)O)OC

DOS

IR

Vibrations