Geometry & MOs

Info

ID:	216280
PubChem CID:	85085980
Reduced:	BrO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	249.078979
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	2.06
IP(EA), eV:	-10.08(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-(4-phenylbut-3-en-1-ynyl)benzene

Drug info:

PubChemData

Smile

CC1(CCC2(O1)C(CCO2)(C)Br)C

DOS

IR

Vibrations