Geometry & MOs

Info

ID:	181667
PubChem CID:	76772956
Reduced:	SiO2N3C26H33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	372.172545
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	3.52
IP(EA), eV:	-8.26(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-4-methoxyphenyl)-1-[3-(2-phenylethyl)phenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)OC(C)(C)C)C2=NC3=C(N2)C=CC4=C3C=CC(=C4)C#C[Si](C)(C)C

DOS

IR

Vibrations