Geometry & MOs

Info

ID:	174228
PubChem CID:	75743680
Reduced:	SN2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	233.201774
ΔH_f, kcal/mol:	13.19
Dipole, Da:	3.08
IP(EA), eV:	-8.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-ethylpyrrolidin-2-yl)methyl-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1C[NH2+]CC2=CC=C(C=C2)SC

DOS

IR

Vibrations