Geometry & MOs

Info

ID:	433302
PubChem CID:	135173439
Reduced:	SO3N5C31H33 (1)
Stoich.:	AB3C5D31E33 (1)
Weight, g/mol:	349.272927
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	6.88
IP(EA), eV:	-8.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2,4-dimethylpentyl)-4-(6-propan-2-yloxypyridin-3-yl)piperazine

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)NSC3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC

DOS

IR

Vibrations