Geometry & MOs

Info

ID:	440238
PubChem CID:	135230169
Reduced:	ClS2N3O4C24H32 (1)
Stoich.:	AB2C3D4E24F32 (1)
Weight, g/mol:	333.241627
ΔH_f, kcal/mol:	-130.58
Dipole, Da:	1.75
IP(EA), eV:	-9.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]benzoate

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4CCNCC4

DOS

IR

Vibrations