Geometry & MOs

Info

ID:	197512
PubChem CID:	78973986
Reduced:	SO2F3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	295.99828
ΔH_f, kcal/mol:	-204.23
Dipole, Da:	5.07
IP(EA), eV:	-9.74(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations