Geometry & MOs

Info

ID:	205509
PubChem CID:	80114585
Reduced:	OF2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	330.98419
ΔH_f, kcal/mol:	-72.81
Dipole, Da:	3.18
IP(EA), eV:	-9.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromothiophen-2-yl)-2-(2,3-difluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

C1CC1N(CCC#N)C(=O)CC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations