Geometry & MOs

Info

ID:	292640
PubChem CID:	117356212
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	3.59
IP(EA), eV:	-8.6(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1Cl)C)OC)O)/C=C/CN

DOS

IR

Vibrations