Geometry & MOs

Info

ID:	248531
PubChem CID:	103082415
Reduced:	BrClNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	4.15
IP(EA), eV:	-9.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenyl)-N-(3-methoxycyclopentyl)acetamide

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations