Geometry & MOs

Info

ID:	175515
PubChem CID:	75914139
Reduced:	ClON3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	436.13616
ΔH_f, kcal/mol:	26.01
Dipole, Da:	4.17
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-butyl-6-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1NC(=O)C3=NNC4=CC=CC=C43)C=CC(=C2)Cl

DOS

IR

Vibrations