Geometry & MOs

Info

ID:	35875
PubChem CID:	7980434
Reduced:	N2O3H14C17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	348.01095
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	4.51
IP(EA), eV:	-9.87(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations