Geometry & MOs

Info

ID:	207368
PubChem CID:	80388326
Reduced:	NSF2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	297.226806
ΔH_f, kcal/mol:	-78.79
Dipole, Da:	2.06
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3-ethyl-N-propylheptan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1=C(C=C(C=C1)F)F)C2=CC(=C(S2)C)C

DOS

IR

Vibrations