Geometry & MOs

Info

ID:

220064

PubChem CID:

85165201

Reduced:

NSiO9C34H49 (1)

Stoich.:

ABC9D34E49 (1)

Weight, g/mol:

644.277404

ΔHf, kcal/mol:

-347.17

Dipole, Da:

5.63

IP(EA), eV:

 -8.86(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-methoxy-4,6-bis(phenylmethoxy)-2-propan-2-yloxyphenyl]-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(CC(C=CC1C(OC(O1)(C)C)CCO[Si](C)(C)C(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations