Geometry & MOs

Info

ID:	175533
PubChem CID:	75918471
Reduced:	FON4C22H31 (1)
Stoich.:	ABC4D22E31 (1)
Weight, g/mol:	373.240365
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	1.62
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1CCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C(C)C

DOS

IR

Vibrations