Geometry & MOs

Info

ID:

382272

PubChem CID:

134973326

Reduced:

NO3H33C35 (1)

Stoich.:

AB3C33D35 (1)

Weight, g/mol:

515.246044

ΔHf, kcal/mol:

-43.98

Dipole, Da:

3.48

IP(EA), eV:

 -8.32(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-1-(2-hydroxynaphthalen-1-yl)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyridin-2-ylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1)C([C@]2(C3=CC=C/C(=C/4\C=C5C=CC=CC5=C(C4=O)C6=C(C=CC7=CC=CC=C76)O)/N3)O)(C)C

DOS

IR

Vibrations