Geometry & MOs

Info

ID:	198137
PubChem CID:	79054566
Reduced:	FN4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	312.99361
ΔH_f, kcal/mol:	51.46
Dipole, Da:	5.95
IP(EA), eV:	-9.18(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-bromothiophen-2-yl)ethyl]-3-fluoro-5-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC(C#N)C2=CN=CN2C3CC3

DOS

IR

Vibrations