Geometry & MOs

Info

ID:	405073
PubChem CID:	135072395
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	559.1502
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	3.33
IP(EA), eV:	-8.93(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[2-[(3-bromopyridin-2-yl)-(2-trimethylsilylethoxymethyl)amino]-2-oxoethylidene]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(C2=C(C=NC=C2)N)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations