Geometry & MOs

Info

ID:	280024
PubChem CID:	103846423
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	374.06636
ΔH_f, kcal/mol:	9.82
Dipole, Da:	1.85
IP(EA), eV:	-9.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propyl]-N-ethylmethanesulfonamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations