Geometry & MOs

Info

ID:	404371
PubChem CID:	135066041
Reduced:	OSiC20H24 (1)
Stoich.:	ABC20D24 (1)
Weight, g/mol:	371.170828
ΔH_f, kcal/mol:	-10.59
Dipole, Da:	2.36
IP(EA), eV:	-9.18(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]azepane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C#C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)O

DOS

IR

Vibrations