Geometry & MOs

Info

ID:	164588
PubChem CID:	74422233
Reduced:	N8O14C37H52 (1)
Stoich.:	A8B14C37D52 (1)
Weight, g/mol:	326.070972
ΔH_f, kcal/mol:	-600.05
Dipole, Da:	12.97
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)CN

DOS

IR

Vibrations