Geometry & MOs

Info

ID:	207152
PubChem CID:	80354399
Reduced:	N2O5C12H20 (1)
Stoich.:	A2B5C12D20 (1)
Weight, g/mol:	266.18167
ΔH_f, kcal/mol:	-239.14
Dipole, Da:	3.77
IP(EA), eV:	-9.74(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethylsulfanyl]-1-(4-methylphenyl)butan-2-amine

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)OC)C(=O)NC(C)(C)C(=O)O

DOS

IR

Vibrations