Geometry & MOs

Info

ID:	407599
PubChem CID:	135080348
Reduced:	C5H6 (2)
Stoich.:	A5B6 (2)
Weight, g/mol:	180.111933
ΔH_f, kcal/mol:	91.23
Dipole, Da:	0.06
IP(EA), eV:	-9.23(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1/C=C/C#CC2CC2

DOS

IR

Vibrations