Geometry & MOs

Info

ID:	264902
PubChem CID:	103502159
Reduced:	FON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	6.41
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(ethylamino)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)C(=O)C3=CC(=NC=C3)N

DOS

IR

Vibrations