Geometry & MOs

Info

ID:	324012
PubChem CID:	126676760
Reduced:	N8C25H28 (1)
Stoich.:	A8B25C28 (1)
Weight, g/mol:	411.204573
ΔH_f, kcal/mol:	131.93
Dipole, Da:	5.51
IP(EA), eV:	-8.27(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-(3-methoxycarbonylphenoxy)phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(C2=C(CN1)C=CC(=C2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N)C5=CC=CC=C5

DOS

IR

Vibrations