Geometry & MOs

Info

ID:	181319
PubChem CID:	76730751
Reduced:	ClNO2C13H14 (2)
Stoich.:	ABC2D13E14 (2)
Weight, g/mol:	372.193674
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	4.73
IP(EA), eV:	-9.91(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-1,4-dihydroxy-3-methyl-3-[(4-phenylphenyl)methoxy]hexan-2-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)O)N2C(=O)C(=NC23CCOC(C3)C(C)(C)C)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations