Geometry & MOs

Info

ID:	211946
PubChem CID:	81058909
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	273.241627
ΔH_f, kcal/mol:	-114.1
Dipole, Da:	6.77
IP(EA), eV:	-9.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-tert-butyl-3-[methyl(2-propan-2-yloxyethyl)amino]butanamide

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(C=CC(=C1)CN)C

DOS

IR

Vibrations