Geometry & MOs

Info

ID:	397367
PubChem CID:	135030119
Reduced:	ON3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	341.152812
ΔH_f, kcal/mol:	105.19
Dipole, Da:	9.01
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CN=C3N2CC4=C(ON=C43)C5=CC=CC(=C5)C

DOS

IR

Vibrations