Geometry & MOs

Info

ID:	16748
PubChem CID:	476247
Reduced:	N6C17H18 (1)
Stoich.:	A6B17C18 (1)
Weight, g/mol:	306.159295
ΔH_f, kcal/mol:	111.18
Dipole, Da:	4.84
IP(EA), eV:	-8.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-3-propan-2-yl-2,4,5,11,13,15-hexazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,15,17-octaene

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC=N2)C3=NN=C(N3C4=C1N=CC=C4)C(C)C

DOS

IR

Vibrations