Geometry & MOs

Info

ID:

449006

PubChem CID:

135295141

Reduced:

OF2C33H44 (1)

Stoich.:

AB2C33D44 (1)

Weight, g/mol:

462.324629

ΔHf, kcal/mol:

-142.92

Dipole, Da:

3.45

IP(EA), eV:

 -8.12(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6E)-7-[3-[(Z)-2-amino-4-oxopent-2-en-3-yl]-7-methyl-6,7-dihydro-5H-cyclohepta[b]pyridin-9-yl]-4-butan-2-yl-2-methylnona-6,8-dien-3-one

Drug info:

PubChemData

Smile

C/C=C(\C=C(\C)/C/C(=C\CCC1CCC(CC1)(CF)F)/C2=CC=C(C=C2)C)/C3=C(OCC(=C3C)C)C

DOS

IR

Vibrations