Geometry & MOs

Info

ID:	288235
PubChem CID:	104313867
Reduced:	BrON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	348.04734
ΔH_f, kcal/mol:	19.75
Dipole, Da:	1.21
IP(EA), eV:	-8.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromopyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations