Geometry & MOs

Info

ID:	149909
PubChem CID:	53789591
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	466.271924
ΔH_f, kcal/mol:	-27.84
Dipole, Da:	1.94
IP(EA), eV:	-9.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,14,22,26-tetramethyl-7-oxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosane-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

CC1(C[C@@H](N(C1=O)C)C2=CN=CC=C2)C

DOS

IR

Vibrations