Geometry & MOs

Info

ID:	68677
PubChem CID:	46508881
Reduced:	SN4O4H20C21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-47.85
Dipole, Da:	6.51
IP(EA), eV:	-9.76(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

DOS

IR

Vibrations