Geometry & MOs

Info

ID:	440803
PubChem CID:	135231549
Reduced:	FOSN6C27H31 (1)
Stoich.:	ABCD6E27F31 (1)
Weight, g/mol:	289.16464
ΔH_f, kcal/mol:	22.8
Dipole, Da:	5.31
IP(EA), eV:	-8.35(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-4-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperazine

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=CC=C2)N3CCN(CC3)C)C4=NC(=CS4)C5=CC=C(C=C5)OC(C)(C)F

DOS

IR

Vibrations