Geometry & MOs

Info

ID:	162538
PubChem CID:	57394979
Reduced:	NOSH15C20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	45.6
Dipole, Da:	3.08
IP(EA), eV:	-8.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-1-hydroxyundecan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4S3

DOS

IR

Vibrations