Geometry & MOs

Info

ID:	292642
PubChem CID:	117356288
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-51.65
Dipole, Da:	1.82
IP(EA), eV:	-8.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-aminocyclopropyl)methyl]-3-chloro-6-methoxy-4-methylphenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CC2(CC2)N)OC)Cl

DOS

IR

Vibrations