Geometry & MOs

Info

ID:	292660
PubChem CID:	117356507
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-72.35
Dipole, Da:	1.88
IP(EA), eV:	-9.13(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-aminocyclobutyl)-2-chloro-6-methoxy-4-methylphenol

Drug info:

PubChemData

Smile

COCC1=C(C=C(C=C1)C2CNCCO2)Cl

DOS

IR

Vibrations