Geometry & MOs

Info

ID:	43865
PubChem CID:	10321901
Reduced:	O2F3N6H21C22 (1)
Stoich.:	A2B3C6D21E22 (1)
Weight, g/mol:	458.2158
ΔH_f, kcal/mol:	-126.94
Dipole, Da:	5.0
IP(EA), eV:	-8.14(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dodecyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium;iodide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=C(C=CC(=C4F)F)F)C(=O)N

DOS

IR

Vibrations