Geometry & MOs

Info

ID:	392071
PubChem CID:	135012564
Reduced:	NOH23C26 (1)
Stoich.:	ABC23D26 (1)
Weight, g/mol:	498.299476
ΔH_f, kcal/mol:	76.96
Dipole, Da:	3.33
IP(EA), eV:	-8.4(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,20-dimethyl-3,29-dioxa-12,14,18,20-tetrazahexacyclo[29.3.1.04,9.010,14.018,22.023,28]pentatriaconta-1(35),4,6,8,23,25,27,31,33-nonaene

Drug info:

PubChemData

Smile

CC1C(C=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3)(C#CC4=CC=CC=C4)O

DOS

IR

Vibrations