Geometry & MOs

Info

ID:	293866
PubChem CID:	117407393
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-98.0
Dipole, Da:	0.41
IP(EA), eV:	-8.05(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isocyanatocyclopentyl)-1,5-dimethoxy-3-methylbenzene

Drug info:

PubChemData

Smile

COC1=C2C(=C(C3=C1CCO3)C4CCCN4)CCO2

DOS

IR

Vibrations