Geometry & MOs

Info

ID:	43176
PubChem CID:	10319090
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-64.9
Dipole, Da:	6.08
IP(EA), eV:	-8.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-2-one

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC4=NN(C=C43)CCCC(=O)O

DOS

IR

Vibrations