Geometry & MOs

Info

ID:	280023
PubChem CID:	103846414
Reduced:	BrON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	2.32
IP(EA), eV:	-9.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(6-methoxypyridin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CCNC(=O)CNC1CCC2=C1C=CC=C2Br

DOS

IR

Vibrations