Geometry & MOs

Info

ID:	249799
PubChem CID:	103092199
Reduced:	NF2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	259.00303
ΔH_f, kcal/mol:	-74.95
Dipole, Da:	3.51
IP(EA), eV:	-9.16(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-bromo-5-methylthiophen-2-yl)-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=CC=C1)C(F)F)NC

DOS

IR

Vibrations