Geometry & MOs

Info

ID:	248406
PubChem CID:	103081371
Reduced:	BrOF2N2C11H11 (1)
Stoich.:	ABC2D2E11F11 (1)
Weight, g/mol:	246.059362
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	6.18
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methoxycyclopentan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Br)NCCOCC(F)F

DOS

IR

Vibrations