Geometry & MOs

Info

ID:	88831
PubChem CID:	49957074
Reduced:	F2N4O4H26C31 (1)
Stoich.:	A2B4C4D26E31 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-176.28
Dipole, Da:	5.31
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations