Geometry & MOs

Info

ID:	283158
PubChem CID:	103961665
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	325.87247
ΔH_f, kcal/mol:	-40.15
Dipole, Da:	8.18
IP(EA), eV:	-9.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(CC2(C1)C(=NC(=O)N2CC3CC3)N)(C)C)C

DOS

IR

Vibrations