Geometry & MOs

Info

ID:	130153
PubChem CID:	51075074
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-93.85
Dipole, Da:	4.36
IP(EA), eV:	-9.12(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-indol-1-yl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N(C)C2CCCCCC2

DOS

IR

Vibrations