Geometry & MOs

Info

ID:	161015
PubChem CID:	57390530
Reduced:	FO3N4C34H35 (1)
Stoich.:	AB3C4D34E35 (1)
Weight, g/mol:	622.06686
ΔH_f, kcal/mol:	-3.74
Dipole, Da:	5.9
IP(EA), eV:	-8.51(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[4-bromo-N-[(2-chlorophenyl)methyl]anilino]piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)F)C5=C(C6=CC(=O)C=CC6=C53)NOCCN7CCCC7

DOS

IR

Vibrations