Geometry & MOs

Info

ID:	397464
PubChem CID:	135030249
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	369.184112
ΔH_f, kcal/mol:	29.58
Dipole, Da:	10.95
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=CN=C3N2CC4=C(ON=C43)C5=CC=C(C=C5)OCC

DOS

IR

Vibrations