Geometry & MOs

Info

ID:	130134
PubChem CID:	51075012
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	6.82
IP(EA), eV:	-8.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CCCN(CCC1)C(=O)C2=CC=CNC2=S

DOS

IR

Vibrations