Geometry & MOs

Info

ID:	283166
PubChem CID:	103962032
Reduced:	BrN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	275.97457
ΔH_f, kcal/mol:	-54.96
Dipole, Da:	7.37
IP(EA), eV:	-8.31(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(2-hydroxypropyl)-5-nitropyridin-4-one

Drug info:

PubChemData

Smile

C1COCC1CN2C=C(C(=O)C(=C2)Br)N

DOS

IR

Vibrations