Geometry & MOs

Info

ID:	337078
PubChem CID:	127256643
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	2.73
IP(EA), eV:	-9.91(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(dimethylaminomethylidene)oxan-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](O1)OC(=O)C

DOS

IR

Vibrations