Geometry & MOs

Info

ID:	173118
PubChem CID:	75600560
Reduced:	NO5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	301.073893
ΔH_f, kcal/mol:	-158.57
Dipole, Da:	1.86
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-nitrophenyl)-1-phenylhept-4-en-2,6-diyn-1-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C(C1=CC=CC=C1)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations