Geometry & MOs

Info

ID:	130915
PubChem CID:	51128415
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	314.179442
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	2.86
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-fluorophenyl)ethyl]-4-[methyl(propyl)amino]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations