Geometry & MOs

Info

ID:	168559
PubChem CID:	74988552
Reduced:	N4O4C27H31 (2)
Stoich.:	A4B4C27D31 (2)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	-271.42
Dipole, Da:	5.9
IP(EA), eV:	-8.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chlorophenoxy)butyl]-4-methylpiperidine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C(C5C6=CC=CC=C6CCC7=CC=CC=C57)NC(=O)C

DOS

IR

Vibrations