Geometry & MOs

Info

ID:	321106
PubChem CID:	126664895
Reduced:	BrSN2C25H47 (1)
Stoich.:	ABC2D25E47 (1)
Weight, g/mol:	422.23303
ΔH_f, kcal/mol:	-30.79
Dipole, Da:	18.35
IP(EA), eV:	-7.1(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[9-(propylamino)nonyl]pyrrolidin-1-ium-1-yl]butane-1-thiol;bromide

Drug info:

PubChemData

Smile

CCC(CCCCCC1=CC=[N+](C=C1)CCCCCCCCCCCS)NC.[Br-]

DOS

IR

Vibrations