Geometry & MOs

Info

ID:	442016
PubChem CID:	135247928
Reduced:	SO2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	370.284495
ΔH_f, kcal/mol:	8.54
Dipole, Da:	5.02
IP(EA), eV:	-8.89(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N'-[(2-cyanophenyl)methyl]-N-[3-methyl-2-(methylamino)butyl]piperidine-1-carboximidamide

Drug info:

PubChemData

Smile

CCC(=O)C1=CC2=C(S1)C(=O)N(C(=N2)N3CCCCC3)CC4=CC=CC=C4C#N

DOS

IR

Vibrations