Geometry & MOs

Info

ID:	247523
PubChem CID:	103072078
Reduced:	BrN3O3C8H10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	329.0375
ΔH_f, kcal/mol:	-22.54
Dipole, Da:	7.05
IP(EA), eV:	-9.82(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-nitro-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1=C(C(=O)N(C=C1Br)CCCN)[N+](=O)[O-]

DOS

IR

Vibrations