Geometry & MOs

Info

ID:	280036
PubChem CID:	103846495
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	322.01393
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	1.35
IP(EA), eV:	-9.15(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations