Geometry & MOs

Info

ID:	435938
PubChem CID:	135192903
Reduced:	O2N4H28C29 (1)
Stoich.:	A2B4C28D29 (1)
Weight, g/mol:	407.330048
ΔH_f, kcal/mol:	2.33
Dipole, Da:	2.08
IP(EA), eV:	-8.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,20,22-triazapentacyclo[19.9.0.02,10.011,19.023,30]triaconta-2(10),11(19),20,23(30)-tetraene

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1)C=CC3=CC4=C(C=C32)OCC5=C4C=CC(=C5)C6=CN=C(N6)CC(=O)CC

DOS

IR

Vibrations