Geometry & MOs

Info

ID:	256234
PubChem CID:	103137882
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	397.8911
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	4.06
IP(EA), eV:	-8.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dibromothiophen-2-yl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C3=C4C=NC=CC4=C(C=C3)N

DOS

IR

Vibrations