Geometry & MOs

Info

ID:	248379
PubChem CID:	103081160
Reduced:	BrNOSF2C9H12 (1)
Stoich.:	ABCDE2F9G12 (1)
Weight, g/mol:	204.107419
ΔH_f, kcal/mol:	-107.5
Dipole, Da:	1.53
IP(EA), eV:	-9.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

C1=C(SC=C1CNCCOCC(F)F)Br

DOS

IR

Vibrations