Geometry & MOs

Info

ID:	272453
PubChem CID:	103743357
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	18.89
Dipole, Da:	7.39
IP(EA), eV:	-9.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CC(C)C1(CC1)CNCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations