Geometry & MOs

Info

ID:	307972
PubChem CID:	125311039
Reduced:	FN3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	32.66
Dipole, Da:	3.18
IP(EA), eV:	-9.37(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=N[C@H]1N)C2=CC=C(C=C2)F

DOS

IR

Vibrations