Geometry & MOs

Info

ID:	260239
PubChem CID:	103186118
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	3.91
IP(EA), eV:	-9.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]cycloheptan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)CCC1=NC=C(C(=C1C)[N+](=O)[O-])C

DOS

IR

Vibrations