Geometry & MOs

Info

ID:	343023
PubChem CID:	127266186
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	2.81
IP(EA), eV:	-8.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-4-(3-pyridin-4-ylpropanoyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CN2C(=C(N=C2S1)C)CNC(C)C3=C(C=CC(=C3)OC)O

DOS

IR

Vibrations