Geometry & MOs

Info

ID:

328767

PubChem CID:

126727554

Reduced:

OF2C21H32 (1)

Stoich.:

AB2C21D32 (1)

Weight, g/mol:

528.273656

ΔHf, kcal/mol:

-144.93

Dipole, Da:

2.33

IP(EA), eV:

 -9.04(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[(Z)-aminomethylideneamino]-(3,4-dimethoxy-1-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)methoxy]phenyl]-3-[3-(2-cyanopropan-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCO/C(=C(/C(=C/C1CCC(CC1)C2CCC(CC2)C)/F)\F)/C=C

DOS

IR

Vibrations