Geometry & MOs

Info

ID:	174012
PubChem CID:	75712615
Reduced:	ClFN2O2C25H32 (1)
Stoich.:	ABC2D2E25F32 (1)
Weight, g/mol:	455.294806
ΔH_f, kcal/mol:	-130.91
Dipole, Da:	7.27
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)Cl)C(=O)NCCCC)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations