Geometry & MOs

Info

ID:	407516
PubChem CID:	135080261
Reduced:	C5H6 (3)
Stoich.:	A5B6 (3)
Weight, g/mol:	180.111933
ΔH_f, kcal/mol:	108.1
Dipole, Da:	0.47
IP(EA), eV:	-8.91(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dideuterio-4-(4-methoxyphenyl)butan-2-one

Drug info:

PubChemData

Smile

C=C(C1CC1)/C(=C/C2CC2)/C#CC3CC3

DOS

IR

Vibrations