Geometry & MOs

Info

ID:	256017
PubChem CID:	103136383
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	331.99828
ΔH_f, kcal/mol:	-17.68
Dipole, Da:	1.46
IP(EA), eV:	-8.23(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CC3=C2C(=CC=C3)CN

DOS

IR

Vibrations