Geometry & MOs

Info

ID:	173164
PubChem CID:	75604999
Reduced:	ClF2N6C29H31 (1)
Stoich.:	AB2C6D29E31 (1)
Weight, g/mol:	384.23006
ΔH_f, kcal/mol:	31.87
Dipole, Da:	6.58
IP(EA), eV:	-8.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4a-dimethyl-3-(10-phenyldeca-7,9-dienyl)-7,7a-dihydro-4H-furo[3,2-c][1,2]dioxin-6-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)CC2=NC3=CC(=C(C=C3N2)F)F)C4=C(C=C(C=C4)Cl)CCC5=CC=C(C=C5)C6NNNN6

DOS

IR

Vibrations