Geometry & MOs

Info

ID:	161801
PubChem CID:	57392720
Reduced:	ClPO5N6C13H20 (1)
Stoich.:	ABC5D6E13F20 (1)
Weight, g/mol:	260.060407
ΔH_f, kcal/mol:	-196.68
Dipole, Da:	5.54
IP(EA), eV:	-9.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CCl)N(C)C)N=[N+]=[N-]

DOS

IR

Vibrations