Geometry & MOs

Info

ID:	307237
PubChem CID:	125292652
Reduced:	FN3H12C18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	496.17467
ΔH_f, kcal/mol:	84.77
Dipole, Da:	4.56
IP(EA), eV:	-9.26(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,8R)-6-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)-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(=NN=C1C2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations