Geometry & MOs

Info

ID:	315065
PubChem CID:	126624314
Reduced:	ON2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	181.146664
ΔH_f, kcal/mol:	-65.83
Dipole, Da:	4.53
IP(EA), eV:	-8.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-6-(3-methylazetidin-1-yl)hex-4-en-3-one

Drug info:

PubChemData

Smile

CCC1(CC2CC(CC(C2)C1)C)NC3=C(C=C(C=C3)C(=O)OCC)NCC4=NC=NC=C4

DOS

IR

Vibrations