Geometry & MOs

Info

ID:	247721
PubChem CID:	103072973
Reduced:	BrN3O3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	341.0375
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	4.53
IP(EA), eV:	-9.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-methyl-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=C1[N+](=O)[O-])CC(=C)CN)Br

DOS

IR

Vibrations