Geometry & MOs

Info

ID:	216861
PubChem CID:	85086892
Reduced:	NO3C18H31 (1)
Stoich.:	AB3C18D31 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-124.04
Dipole, Da:	4.13
IP(EA), eV:	-9.74(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(dimethylamino)ethyl]phenyl]sulfinylheptan-2-one

Drug info:

PubChemData

Smile

CCCCCCCC=CCC=CCCC(C1C(O1)C(=O)N)O

DOS

IR

Vibrations