Geometry & MOs

Info

ID:	169308
PubChem CID:	75088355
Reduced:	ClSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	312.160456
ΔH_f, kcal/mol:	-36.27
Dipole, Da:	4.16
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-benzylpiperazine-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C=C(C(=O)NC2=NC=CS2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations