Geometry & MOs

Info

ID:	43111
PubChem CID:	10318628
Reduced:	N3O3H19C24 (1)
Stoich.:	A3B3C19D24 (1)
Weight, g/mol:	397.142641
ΔH_f, kcal/mol:	20.66
Dipole, Da:	10.41
IP(EA), eV:	-9.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxyethyl)-4-methyl-11,13-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)/C=C/C4=CC(=CC=C4)OCC(=O)O

DOS

IR

Vibrations