Geometry & MOs

Info

ID:	446955
PubChem CID:	135279080
Reduced:	INSF2O4H16C19 (1)
Stoich.:	ABCD2E4F16G19 (1)
Weight, g/mol:	239.236148
ΔH_f, kcal/mol:	-190.74
Dipole, Da:	6.21
IP(EA), eV:	-9.23(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(1-propylazetidin-3-yl)piperazine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OCCCCCOSI)C(=O)N(C2=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations