Geometry & MOs

Info

ID:	288189
PubChem CID:	104313357
Reduced:	BrON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	320.01604
ΔH_f, kcal/mol:	10.58
Dipole, Da:	2.33
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(C2=C(C=CC=N2)Br)N

DOS

IR

Vibrations