Geometry & MOs

Info

ID:	173830
PubChem CID:	75689477
Reduced:	O2N4C20H31 (1)
Stoich.:	A2B4C20D31 (1)
Weight, g/mol:	367.180387
ΔH_f, kcal/mol:	-87.23
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.963792
Charge, e:	1

Chem-info

IUPAC name:

1-methylsulfonyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC(C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

DOS

IR

Vibrations