Geometry & MOs

Info

ID:	448656
PubChem CID:	135292542
Reduced:	ClSO2N9C20H26 (1)
Stoich.:	ABC2D9E20F26 (1)
Weight, g/mol:	243.194677
ΔH_f, kcal/mol:	35.63
Dipole, Da:	2.85
IP(EA), eV:	-8.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(dimethylamino)methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)N1CCN(CC1)CC2=CN3C(=C(N=C(C3=N2)N4CCOCC4)C5=CN=C(N=C5)N)Cl

DOS

IR

Vibrations