Geometry & MOs

Info

ID:	342169
PubChem CID:	127264882
Reduced:	NOF4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-179.76
Dipole, Da:	4.78
IP(EA), eV:	-9.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrol-1-yl)hexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC2CC2N(C1)C(=O)C3=CC(=C(C(=C3F)F)F)F

DOS

IR

Vibrations