Geometry & MOs

Info

ID:	308259
PubChem CID:	125324987
Reduced:	ON5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	83.68
Dipole, Da:	5.79
IP(EA), eV:	-8.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,8R)-6-pentyl-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)[C@@H](CNC(=O)CCNC3=NC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations