Geometry & MOs

Info

ID:	48475
PubChem CID:	10586296
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	246.02554
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	3.69
IP(EA), eV:	-9.45(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4Z,7Z)-9-bromonona-4,7-dienoate

Drug info:

PubChemData

Smile

CN1C2=[15N]C3=CC=CC=C3N=C2C(=O)N(C1=O)C

DOS

IR

Vibrations