Geometry & MOs

Info

ID:	280031
PubChem CID:	103846475
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	325.04998
ΔH_f, kcal/mol:	17.91
Dipole, Da:	2.29
IP(EA), eV:	-9.29(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)NC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations