Geometry & MOs

Info

ID:	46201
PubChem CID:	10523073
Reduced:	O2C11H20 (2)
Stoich.:	A2B11C20 (2)
Weight, g/mol:	368.00078
ΔH_f, kcal/mol:	-240.08
Dipole, Da:	3.32
IP(EA), eV:	-10.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(bromomethyl)-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[C@@H]1[C@H](OC(O1)(C)C)/C=C/C(=O)OCC

DOS

IR

Vibrations