Geometry & MOs

Info

ID:	288237
PubChem CID:	104313915
Reduced:	BrN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	308.03244
ΔH_f, kcal/mol:	56.4
Dipole, Da:	5.22
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromopyridin-2-yl)-(2-fluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=CN=C1)C)C2=C(C=CC=N2)Br

DOS

IR

Vibrations