Geometry & MOs

Info

ID:	308375
PubChem CID:	125326642
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	12.77
Dipole, Da:	7.84
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC=C(O1)/C=N\NC(=O)C2=CC3=C(C=C2)N=CN3

DOS

IR

Vibrations