Geometry & MOs

Info

ID:	174947
PubChem CID:	75837348
Reduced:	FON2C24H32 (1)
Stoich.:	ABC2D24E32 (1)
Weight, g/mol:	328.202502
ΔH_f, kcal/mol:	-40.43
Dipole, Da:	11.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964179
Charge, e:	1

Chem-info

IUPAC name:

[2,6-dimethyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC(=C1)CN(C)CC2CCC[NH+](C2)CCC3=CC=C(C=C3)F

DOS

IR

Vibrations