Geometry & MOs

Info

ID:	293732
PubChem CID:	117397863
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.09827
ΔH_f, kcal/mol:	-100.73
Dipole, Da:	2.24
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1OC)Cl)C2CNCCO2

DOS

IR

Vibrations