Geometry & MOs

Info

ID:	200149
PubChem CID:	79354798
Reduced:	N2O5C10H10 (1)
Stoich.:	A2B5C10D10 (1)
Weight, g/mol:	344.03717
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	4.8
IP(EA), eV:	-10.27(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(bromomethyl)oxan-4-yl]methyl]-4-methyl-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations