Geometry & MOs

Info

ID:	197939
PubChem CID:	79018553
Reduced:	ClFNOC11H15 (1)
Stoich.:	ABCDE11F15 (1)
Weight, g/mol:	213.092042
ΔH_f, kcal/mol:	-87.55
Dipole, Da:	4.41
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CN)COC1=C(C=C(C=C1)F)Cl

DOS

IR

Vibrations