Geometry & MOs

Info

ID:	78486
PubChem CID:	49693281
Reduced:	FN2O3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	399.159434
ΔH_f, kcal/mol:	-145.92
Dipole, Da:	6.46
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)NCC2CCN(CC2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations