Geometry & MOs

Info

ID:	29032
PubChem CID:	831239
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-54.14
Dipole, Da:	2.26
IP(EA), eV:	-8.66(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(3-nitrophenyl)-1-phenylpenta-1,4-dien-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\2/CCCCC2=O

DOS

IR

Vibrations