Geometry & MOs

Info

ID:	429404
PubChem CID:	135169427
Reduced:	ClON2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	336.126263
ΔH_f, kcal/mol:	40.3
Dipole, Da:	5.51
IP(EA), eV:	-10.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(12),2(10),3,5(9),6,13,15,17-octaene

Drug info:

PubChemData

Smile

C1=CN=C(C2C1C=C(C=N2)C=O)Cl

DOS

IR

Vibrations