Geometry & MOs

Info

ID:	181238
PubChem CID:	76719767
Reduced:	O3N4C27H32 (1)
Stoich.:	A3B4C27D32 (1)
Weight, g/mol:	318.184447
ΔH_f, kcal/mol:	-4.07
Dipole, Da:	1.33
IP(EA), eV:	-7.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(6-methylpyridin-3-yl)-7,10,17-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(17),11(16),12,14-tetraene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2CCN(C(C2)CC3=CC=CC=C3)C(=O)CC4=NN=CC4)OC5CCC5

DOS

IR

Vibrations