Geometry & MOs

Info

ID:	446498
PubChem CID:	135275469
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	-9.41
Dipole, Da:	3.38
IP(EA), eV:	-8.92(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(3E)-3-(dimethylaminomethylidene)-4-oxocyclohexyl]propanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CC1CCN3[C@@H]2CN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations