Geometry & MOs

Info

ID:	158951
PubChem CID:	57244287
Reduced:	SiN2O5C24H40 (1)
Stoich.:	AB2C5D24E40 (1)
Weight, g/mol:	501.27582
ΔH_f, kcal/mol:	-263.6
Dipole, Da:	4.64
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)C(=CC2CCN(C2)C(=O)OCC=C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations