Geometry & MOs

Info

ID:

375841

PubChem CID:

134221833

Reduced:

FNO5C34H38 (1)

Stoich.:

ABC5D34E38 (1)

Weight, g/mol:

369.210407

ΔHf, kcal/mol:

-248.74

Dipole, Da:

10.21

IP(EA), eV:

 -8.57(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethenyl]-5-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyrrole-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)[C@@H](C(=O)O)OC(C)(C)C)C)C

DOS

IR

Vibrations