Geometry & MOs

Info

ID:	272711
PubChem CID:	103752603
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	300.01095
ΔH_f, kcal/mol:	-62.35
Dipole, Da:	3.5
IP(EA), eV:	-9.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-bromopyridine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)C2=CC(=NC=C2)Br)C

DOS

IR

Vibrations