Geometry & MOs

Info

ID:	292525
PubChem CID:	115354168
Reduced:	BrON2H7C12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	306.02554
ΔH_f, kcal/mol:	43.7
Dipole, Da:	5.6
IP(EA), eV:	-9.77(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 6-bromonaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)Br)C=C1C(=O)NC#N

DOS

IR

Vibrations