Geometry & MOs

Info

ID:	208158
PubChem CID:	80501730
Reduced:	BrO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	272.05243
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	2.77
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-bromo-1-hexylpyridin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2C=C(C=C(C2=O)Br)N

DOS

IR

Vibrations