Geometry & MOs

Info

ID:	143706
PubChem CID:	53251427
Reduced:	NC5H5 (4)
Stoich.:	AB5C5 (4)
Weight, g/mol:	316.168797
ΔH_f, kcal/mol:	89.39
Dipole, Da:	2.18
IP(EA), eV:	-8.33(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2-pyrimidin-5-ylethenyl]-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene

Drug info:

PubChemData

Smile

C1CN2CCC1C3=C(C2)C4=CC=CC(=C4N3)/C=C/C5=CN=CN=C5

DOS

IR

Vibrations