Geometry & MOs

Info

ID:	179631
PubChem CID:	76514157
Reduced:	FN2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	8.11
Dipole, Da:	2.19
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,12-dimethoxy-6,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),13,15-tetraen-8-one

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=N1)C)C=CC2=CC=C(C=C2)F)C

DOS

IR

Vibrations