Geometry & MOs

Info

ID:	200624
PubChem CID:	79416946
Reduced:	NOSC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-16.6
Dipole, Da:	3.71
IP(EA), eV:	-9.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CC2=CN=C(S2)C)CO

DOS

IR

Vibrations