Geometry & MOs

Info

ID:	155519
PubChem CID:	56365855
Reduced:	BrN2O2C25H29 (1)
Stoich.:	AB2C2D25E29 (1)
Weight, g/mol:	410.236956
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	7.39
IP(EA), eV:	-9.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-(3-fluorophenyl)-2-methyl-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3CC3C4=CC=C(C=C4)Br

DOS

IR

Vibrations