Geometry & MOs

Info

ID:	167346
PubChem CID:	74812742
Reduced:	FON4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	290.223238
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	4.61
IP(EA), eV:	-8.76(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol

Drug info:

PubChemData

Smile

CC1CC(NN1)C(=O)N(C)C2CCCN(C2)CC3=CC=CC=C3F

DOS

IR

Vibrations