Geometry & MOs

Info

ID:	293690
PubChem CID:	117396722
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	1.72
IP(EA), eV:	-8.48(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatocyclopentyl)-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)O)OCC2=CC=CC=C2)N

DOS

IR

Vibrations