Geometry & MOs

Info

ID:	175641
PubChem CID:	75929687
Reduced:	FSO2N3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	213.196688
ΔH_f, kcal/mol:	-42.85
Dipole, Da:	1.86
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1-butylpiperidin-1-ium-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CCNC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3F

DOS

IR

Vibrations