Geometry & MOs

Info

ID:	25868
PubChem CID:	632178
Reduced:	O4H18C23 (1)
Stoich.:	A4B18C23 (1)
Weight, g/mol:	358.146999
ΔH_f, kcal/mol:	-59.77
Dipole, Da:	2.61
IP(EA), eV:	-8.76(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,23-diazapentacyclo[22.4.0.02,7.010,15.016,21]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene

Drug info:

PubChemData

Smile

CCOC1=CC2=CC=CC=C2C(=C1C3=CC(=O)C4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations