Geometry & MOs

Info

ID:	151081
PubChem CID:	53790778
Reduced:	ClNO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	2.65
IP(EA), eV:	-9.21(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-diethyl-6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N)Cl

DOS

IR

Vibrations