Geometry & MOs

Info

ID:	292646
PubChem CID:	117356298
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	4.93
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Cl)CC2(CC2)N)OC

DOS

IR

Vibrations