Geometry & MOs

Info

ID:	361129
PubChem CID:	127302045
Reduced:	OSN6C15H22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	35.89
Dipole, Da:	5.89
IP(EA), eV:	-8.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=CSC(=N2)C3=CN(N=C3)C)C

DOS

IR

Vibrations