Geometry & MOs

Info

ID:	270158
PubChem CID:	103630843
Reduced:	SN3O3H13C14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	339.134969
ΔH_f, kcal/mol:	-29.07
Dipole, Da:	3.24
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-amino-2-chlorobenzoyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3N)OCO4

DOS

IR

Vibrations