Geometry & MOs

Info

ID:	328319
PubChem CID:	126700681
Reduced:	ON4C10H10 (2)
Stoich.:	AB4C10D10 (2)
Weight, g/mol:	319.14331
ΔH_f, kcal/mol:	81.41
Dipole, Da:	2.6
IP(EA), eV:	-8.4(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-(ethylamino)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)N[C@@H](C4CC4)C(=O)N)N=C2C5=NC6=NC=NN6C=C5

DOS

IR

Vibrations