Geometry & MOs

Info

ID:

438966

PubChem CID:

135228727

Reduced:

NC31H45 (1)

Stoich.:

AB31C45 (1)

Weight, g/mol:

517.282823

ΔHf, kcal/mol:

22.31

Dipole, Da:

3.74

IP(EA), eV:

 -8.95(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (E)-2-[(2E)-2-[3-tert-butyl-7-methoxy-2-methylidene-6-(6-oxo-1-propylpyridin-3-yl)-3,4-dihydronaphthalen-1-ylidene]acetyl]but-2-enoate

Drug info:

PubChemData

Smile

CCCC(=C)/C(=C/C)/C(=C)/C=C(\C)/C1=C(C=C(C(=C1)C)/C(=C/C)/C=N)CC(C)C(C)(C)C

DOS

IR

Vibrations