Geometry & MOs

Info

ID:	26640
PubChem CID:	794410
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	5.62
IP(EA), eV:	-9.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-1-(4-ethoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations