Geometry & MOs

Info

ID:	174015
PubChem CID:	75712618
Reduced:	FO2N3C31H46 (1)
Stoich.:	AB2C3D31E46 (1)
Weight, g/mol:	455.294806
ΔH_f, kcal/mol:	-145.5
Dipole, Da:	5.44
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-4-fluoro-N-hexylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations