Geometry & MOs

Info

ID:	156179
PubChem CID:	56369416
Reduced:	SO3N5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	389.206304
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	7.0
IP(EA), eV:	-8.54(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(5-nitropyridin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(CC3=CC=CC=C3)C(=O)NC4CC4

DOS

IR

Vibrations