Geometry & MOs

Info

ID:	221037
PubChem CID:	85256583
Reduced:	OC19H20 (1)
Stoich.:	AB19C20 (1)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	13.79
Dipole, Da:	3.19
IP(EA), eV:	-9.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethylidene-8,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),4,12,14,16-pentaene

Drug info:

PubChemData

Smile

CCCC1C(C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations