Geometry & MOs

Info

ID:	197003
PubChem CID:	78907949
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-92.79
Dipole, Da:	3.53
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC

DOS

IR

Vibrations