Geometry & MOs

Info

ID:	198947
PubChem CID:	79177311
Reduced:	NC9H17 (1)
Stoich.:	AB9C17 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-9.58
Dipole, Da:	2.3
IP(EA), eV:	-8.96(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(oxan-3-yl)but-3-en-1-one

Drug info:

PubChemData

Smile

CCC1(CCCN1)C(=C)C

DOS

IR

Vibrations