Geometry & MOs

Info

ID:	409557
PubChem CID:	135082339
Reduced:	ON2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	668.313789
ΔH_f, kcal/mol:	4.12
Dipole, Da:	1.39
IP(EA), eV:	-8.9(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,31-diphenyl-12,16,19,22,25,29-hexaoxapentacyclo[28.8.0.02,11.03,8.033,38]octatriaconta-1(30),2(11),3,5,7,9,31,33,35,37-decaene

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)CCON

DOS

IR

Vibrations