Geometry & MOs

Info

ID:	189248
PubChem CID:	77832188
Reduced:	OSiN2C14H27 (1)
Stoich.:	ABC2D14E27 (1)
Weight, g/mol:	547.402545
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	3.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763113
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-hydroxy-2-oxo-2-phenylethyl)phenyl]docos-13-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(N(C1)O[Si](C)C)CCCC#N

DOS

IR

Vibrations