Geometry & MOs

Info

ID:	292023
PubChem CID:	114144906
Reduced:	BrN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	279.138992
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	5.62
IP(EA), eV:	-9.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(=O)C(CN)OC

DOS

IR

Vibrations