Geometry & MOs

Info

ID:	145762
PubChem CID:	53589437
Reduced:	N2S2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	2.4
IP(EA), eV:	-9.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-2-phenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=CSC(=C1)C2=CSC(=N2)CCN3CCOC3=O

DOS

IR

Vibrations