Geometry & MOs

Info

ID:	260226
PubChem CID:	103185367
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	13.13
Dipole, Da:	3.26
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3,5-dimethyl-4-nitropyridin-2-yl)methylsulfanyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CN2CCCNCC2

DOS

IR

Vibrations