Geometry & MOs

Info

ID:	168958
PubChem CID:	75045929
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	386.260966
ΔH_f, kcal/mol:	-117.65
Dipole, Da:	8.94
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(13-undecacyclo[11.11.1.15,21.01,16.02,11.03,8.04,23.06,19.08,17.010,15.018,23]hexacosanyl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N)NC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations