Geometry & MOs

Info

ID:	220366
PubChem CID:	85177630
Reduced:	ON4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	462.291384
ΔH_f, kcal/mol:	85.89
Dipole, Da:	2.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.157984
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-[[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]carbamoyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)[N+]3=CN=C4C=CC=CC4C3=O

DOS

IR

Vibrations