Geometry & MOs

Info

ID:	444261
PubChem CID:	135261882
Reduced:	OSN5H17C24 (1)
Stoich.:	ABC5D17E24 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	170.22
Dipole, Da:	3.51
IP(EA), eV:	-8.45(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CSC=C6)N=C2

DOS

IR

Vibrations