Geometry & MOs

Info

ID:	293437
PubChem CID:	117388839
Reduced:	O5C13H18 (1)
Stoich.:	A5B13C18 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-190.88
Dipole, Da:	4.35
IP(EA), eV:	-9.17(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-isocyanatocyclobutyl)-8-methoxyquinoline

Drug info:

PubChemData

Smile

CC(C1=C(C(=C(C=C1)OC)COC)OC)C(=O)O

DOS

IR

Vibrations