Geometry & MOs

Info

ID:	248542
PubChem CID:	103082474
Reduced:	BrN2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-73.33
Dipole, Da:	4.89
IP(EA), eV:	-9.91(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxycyclopentyl)butanamide

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations