Geometry & MOs

Info

ID:	249602
PubChem CID:	103090769
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	2.08
IP(EA), eV:	-8.91(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(oxan-4-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=C(C)C(=O)C

DOS

IR

Vibrations