Geometry & MOs

Info

ID:	171354
PubChem CID:	75365801
Reduced:	NOPCl3H17C21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	26.61
Dipole, Da:	12.93
IP(EA), eV:	-7.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C(=C(Cl)Cl)NC=O.[Cl-]

DOS

IR

Vibrations