Geometry & MOs

Info

ID:	403959
PubChem CID:	135063422
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	296.159642
ΔH_f, kcal/mol:	44.96
Dipole, Da:	6.56
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[dimethyl(phenyl)silyl]-4-(2-methylphenyl)butan-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2CC(=O)C3=C2N=C(C(=C3)C#N)N

DOS

IR

Vibrations