Geometry & MOs

Info

ID:	288214
PubChem CID:	104313615
Reduced:	BrF2N2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	280.02113
ΔH_f, kcal/mol:	-39.86
Dipole, Da:	1.74
IP(EA), eV:	-8.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(furan-3-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CNC(CC1=C(C=CC(=C1)F)F)C2=C(C=CC=N2)Br

DOS

IR

Vibrations