Geometry & MOs

Info

ID:	142196
PubChem CID:	52998858
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-54.54
Dipole, Da:	3.41
IP(EA), eV:	-8.33(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(4-fluorophenyl)methyl]-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)F

DOS

IR

Vibrations