Geometry & MOs

Info

ID:	293733
PubChem CID:	117397955
Reduced:	ClFNOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	257.118257
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	3.05
IP(EA), eV:	-9.46(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]butan-1-amine

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=C(C=C2Cl)F)CCCN

DOS

IR

Vibrations