Geometry & MOs

Info

ID:	371376
PubChem CID:	127346050
Reduced:	NSO3C14H25 (1)
Stoich.:	ABC3D14E25 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-165.32
Dipole, Da:	9.64
IP(EA), eV:	-9.63(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylazepan-1-yl)-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1CCCCCN1C(=O)C2CCS(=O)(=O)CC2

DOS

IR

Vibrations