Geometry & MOs

Info

ID:	270450
PubChem CID:	103636643
Reduced:	BrN3O3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	0.69
Dipole, Da:	3.91
IP(EA), eV:	-9.84(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexylpropyl)-2,4-dihydroxybenzamide

Drug info:

PubChemData

Smile

CCN(CC#N)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations