Geometry & MOs

Info

ID:	208151
PubChem CID:	80501723
Reduced:	BrO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	330.05791
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	2.81
IP(EA), eV:	-8.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(5-amino-3-bromo-2-oxopyridin-1-yl)hexanoate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1C=C(C=C(C1=O)Br)N

DOS

IR

Vibrations