Geometry & MOs

Info

ID:

343312

PubChem CID:

127266485

Reduced:

OPS2N5H34C35 (1)

Stoich.:

ABC2D5E34F35 (1)

Weight, g/mol:

508.283826

ΔHf, kcal/mol:

61.06

Dipole, Da:

9.13

IP(EA), eV:

 -8.47(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-[[2-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]methylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N(/C1=C\P(=S)(C3=CC=CC=C3)OC4=CC=C(C=C4)C=NNC5=C6C7=C(CCCC7)SC6=NC=N5)C)C

DOS

IR

Vibrations