Geometry & MOs

Info

ID:	187692
PubChem CID:	77611121
Reduced:	FN3O5C29H32 (1)
Stoich.:	AB3C5D29E32 (1)
Weight, g/mol:	539.278407
ΔH_f, kcal/mol:	-148.95
Dipole, Da:	6.42
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dibenzoyl-1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-N,N,2-trimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C2C(CNCC2C(=O)C3=CC(=CN=C3)OC)CC(C(=O)C4=CC(=CN=C4)OC)OC

DOS

IR

Vibrations