Geometry & MOs

Info

ID:	260238
PubChem CID:	103185920
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	17.61
Dipole, Da:	0.97
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethyl-4-nitropyridin-2-yl)hexan-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations