Geometry & MOs

Info

ID:	397463
PubChem CID:	135030248
Reduced:	OF2N3H13C20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	28.7
Dipole, Da:	6.82
IP(EA), eV:	-9.27(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)-9-[(4-ethoxyphenyl)methyl]-4-oxa-3,8,11-triazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraene

Drug info:

PubChemData

Smile

C1C2=C(ON=C2C3=NC=C(N31)CC4=CC(=CC=C4)F)C5=CC(=CC=C5)F

DOS

IR

Vibrations