Geometry & MOs

Info

ID:	249630
PubChem CID:	103090981
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-125.27
Dipole, Da:	2.03
IP(EA), eV:	-8.71(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-4-(3-nitro-4-propan-2-ylphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C/C1=C(C(=C(C=C1)OC)OC)OC)/C(=O)C

DOS

IR

Vibrations