Geometry & MOs

Info

ID:	78488
PubChem CID:	49693302
Reduced:	FN2O2C25H25 (1)
Stoich.:	AB2C2D25E25 (1)
Weight, g/mol:	408.080761
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	5.17
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations