Geometry & MOs

Info

ID:	175531
PubChem CID:	75918469
Reduced:	ClON4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	387.256015
ΔH_f, kcal/mol:	-0.8
Dipole, Da:	2.37
IP(EA), eV:	-8.63(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-5-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCCNC(=O)C2=C(N(N=C2)C3=CC(=C(C=C3)C)Cl)C4CC4

DOS

IR

Vibrations