Geometry & MOs

Info

ID:	284772
PubChem CID:	104069685
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	291.143471
ΔH_f, kcal/mol:	-110.9
Dipole, Da:	3.09
IP(EA), eV:	-9.38(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[1-(2,3-difluorophenyl)ethylamino]phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC1(C(CC1OC)NC(=O)CCCCN)C

DOS

IR

Vibrations