Geometry & MOs

Info

ID:	130721
PubChem CID:	51096052
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-70.14
Dipole, Da:	5.21
IP(EA), eV:	-9.58(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)-3-fluorophenyl]-(4-ethoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1CCCC(C1)C(=O)N(C)CC(C)C#N)C#N

DOS

IR

Vibrations