Geometry & MOs

Info

ID:	432250
PubChem CID:	135172382
Reduced:	SO3N6C31H36 (1)
Stoich.:	AB3C6D31E36 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-4.23
Dipole, Da:	2.68
IP(EA), eV:	-8.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[3-(5-methylpyridin-2-yl)oxypropyl]piperazine

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCOC2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC=C(C=C5)NC(=O)NC6=NOC(=C6)C(C)(C)C

DOS

IR

Vibrations