Geometry & MOs

Info

ID:	42700
PubChem CID:	8149884
Reduced:	OSN4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	316.121665
ΔH_f, kcal/mol:	3.57
Dipole, Da:	2.44
IP(EA), eV:	-8.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-4-pyrrolidin-1-ylpyridin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NCCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations