Geometry & MOs

Info

ID:	308260
PubChem CID:	125325046
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	3.32
IP(EA), eV:	-9.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,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

CCCCCN1CC(=O)N2[C@@H](C1=O)CC3=C4C=CC=CC4=N[C@H]3[C@@H]2C5=CC=CC=C5

DOS

IR

Vibrations