Geometry & MOs

Info

ID:	174210
PubChem CID:	75741468
Reduced:	ON5C25H41 (1)
Stoich.:	AB5C25D41 (1)
Weight, g/mol:	406.260686
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	5.69
IP(EA), eV:	-8.32(0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC(CC2)N3CCC(CC3)C(=O)N(C)CC4NCCN4C

DOS

IR

Vibrations