Geometry & MOs

Info

ID:	175648
PubChem CID:	75930631
Reduced:	Cl2O2N3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	353.190341
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	2.79
IP(EA), eV:	-9.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)but-2-enamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC2)C(=O)N(CC3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=N4

DOS

IR

Vibrations