Geometry & MOs

Info

ID:	371375
PubChem CID:	127346034
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	287.155515
ΔH_f, kcal/mol:	16.74
Dipole, Da:	4.06
IP(EA), eV:	-8.54(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothian-4-yl)-(2-ethylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CC3(CC3)C4=CC=CC=C42

DOS

IR

Vibrations