Geometry & MOs

Info

ID:	397368
PubChem CID:	135030120
Reduced:	ON3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	373.142641
ΔH_f, kcal/mol:	105.51
Dipole, Da:	8.84
IP(EA), eV:	-8.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-9-[(4-methoxyphenyl)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=C(C=C1)CC2=CN=C3N2CC4=C(ON=C43)C5=CC=C(C=C5)C

DOS

IR

Vibrations