Geometry & MOs

Info

ID:	75033
PubChem CID:	48422891
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	4.52
IP(EA), eV:	-9.24(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azocan-1-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations