Geometry & MOs

Info

ID:	327708
PubChem CID:	126690820
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	400.149701
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	3.28
IP(EA), eV:	-9.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pentylsulfanylnaphthalen-1-yl) naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=C)N(C)C(=O)C1=C(N=CC(=C1)Br)C

DOS

IR

Vibrations