Geometry & MOs

Info

ID:	299948
PubChem CID:	118043287
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	684.363533
ΔH_f, kcal/mol:	3.2
Dipole, Da:	4.02
IP(EA), eV:	-8.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-[(E)-4-[4-[5-carbamoyl-6-(4-phenoxyphenoxy)pyridin-2-yl]piperidin-1-yl]-4-oxobut-2-enyl]piperazin-1-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CN(C[C@H]1N)C2=C(C=C(C=N2)C(=O)N)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations