Geometry & MOs

Info

ID:	46895
PubChem CID:	10528205
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	466.214409
ΔH_f, kcal/mol:	36.91
Dipole, Da:	2.47
IP(EA), eV:	-8.39(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,16,24-trimethoxy-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene

Drug info:

PubChemData

Smile

C1CC1C(=NOCC(CNC2=CC=C(C=C2)C3=CC=CC=C3)O)C4CC4

DOS

IR

Vibrations