Geometry & MOs

Info

ID:	9498
PubChem CID:	90247
Reduced:	ON2H10C18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	270.079313
ΔH_f, kcal/mol:	56.95
Dipole, Da:	4.08
IP(EA), eV:	-8.95(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C4C3=CC=C5

DOS

IR

Vibrations