Geometry & MOs

Info

ID:	145913
PubChem CID:	53611786
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	343.212058
ΔH_f, kcal/mol:	3.62
Dipole, Da:	4.26
IP(EA), eV:	-9.09(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(cyanomethyl)-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(C(C)C)C(=O)NCCNC2=NC=CC=N2

DOS

IR

Vibrations