Geometry & MOs

Info

ID:	392299
PubChem CID:	135014298
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	3.66
Dipole, Da:	5.81
IP(EA), eV:	-8.94(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-methylphenyl)sulfonylazepane-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCCC2=O)CCN=[N+]=[N-]

DOS

IR

Vibrations