Geometry & MOs

Info

ID:	158774
PubChem CID:	56468378
Reduced:	ClFON7H19C21 (1)
Stoich.:	ABCD7E19F21 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	56.77
Dipole, Da:	13.43
IP(EA), eV:	-9.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylphenoxy)-N-(2-butylcyclopentyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC(=C(C=C3)F)N4C(=NN=N4)C)Cl

DOS

IR

Vibrations