Geometry & MOs

Info

ID:	280033
PubChem CID:	103846485
Reduced:	BrN2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	313.04998
ΔH_f, kcal/mol:	11.44
Dipole, Da:	3.17
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCC1NC2CCC3=C2C=CC=C3Br)C

DOS

IR

Vibrations