Geometry & MOs

Info

ID:	272900
PubChem CID:	103764349
Reduced:	BrClON2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	4.02
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-oxo-1H-pyridine-4-carbonyl)-propylamino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations