Geometry & MOs

Info

ID:	141676
PubChem CID:	52913522
Reduced:	F2N7H19C20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	63.84
Dipole, Da:	2.04
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,5S,9aS)-4,9a-dimethoxy-3,4a,5-trimethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2,8-dione

Drug info:

PubChemData

Smile

C1CC1C2=CC=CC=C2CN3C4=NC(=NC=C4C=N3)NC5=CN(N=C5)CC(F)F

DOS

IR

Vibrations