Geometry & MOs

Info

ID:

233651

PubChem CID:

91147726

Reduced:

N5O7C36H47 (1)

Stoich.:

A5B7C36D47 (1)

Weight, g/mol:

513.299142

ΔHf, kcal/mol:

-262.23

Dipole, Da:

10.97

IP(EA), eV:

 -8.79(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-(dimethylamino)ethoxy]-5-(2-methoxyphenyl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enal

Drug info:

PubChemData

Smile

CNCCC[C@@H](C(=O)O)N.CNCCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations