Geometry & MOs

Info

ID:	200691
PubChem CID:	79428886
Reduced:	O2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	217.056135
ΔH_f, kcal/mol:	-76.83
Dipole, Da:	5.2
IP(EA), eV:	-9.57(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-(1,3-thiazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(=C)CC1(CCC2=CC=CC=C2C1)C(=O)O

DOS

IR

Vibrations