Geometry & MOs

Info

ID:	16749
PubChem CID:	476249
Reduced:	N7C17H19 (1)
Stoich.:	A7B17C19 (1)
Weight, g/mol:	321.170194
ΔH_f, kcal/mol:	128.55
Dipole, Da:	4.47
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(13-ethyl-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-octaen-3-yl)-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations