Geometry & MOs

Info

ID:	225090
PubChem CID:	85741519
Reduced:	O2N5H45C58 (1)
Stoich.:	A2B5C45D58 (1)
Weight, g/mol:	306.201507
ΔH_f, kcal/mol:	213.33
Dipole, Da:	6.72
IP(EA), eV:	-7.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[tert-butyl(dimethyl)silyl]oxy-1-phenylhexan-3-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C=NN=C2C3=CC=C(C=C3)OC4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)OC1=CC=CC=C1

DOS

IR

Vibrations