Geometry & MOs

Info

ID:	277722
PubChem CID:	103830571
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	4.68
IP(EA), eV:	-9.42(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(cyclopentylmethyl)-3-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCOC)C(=O)C1=CC(=C(C=C1)Br)O

DOS

IR

Vibrations