Geometry & MOs

Info

ID:	311135
PubChem CID:	126589577
Reduced:	FNC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	387.220972
ΔH_f, kcal/mol:	-7.74
Dipole, Da:	5.37
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-7-[(3E)-3-(4-fluoro-3-methylcyclohexa-2,4-dien-1-ylidene)-2-methylhexyl]-4-hydroxy-6-methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-one

Drug info:

PubChemData

Smile

CC1=C2CCCC=C2C(=N)C=C1F

DOS

IR

Vibrations