Geometry & MOs

Info

ID:	257079
PubChem CID:	103143622
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	358.01393
ΔH_f, kcal/mol:	22.85
Dipole, Da:	1.66
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)sulfanyl-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

CCC1CCC(C1)C(C2=CC=CC3=C2C=NC=C3)NC

DOS

IR

Vibrations