Geometry & MOs

Info

ID:	255969
PubChem CID:	103135987
Reduced:	NC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	344.03244
ΔH_f, kcal/mol:	22.81
Dipole, Da:	1.56
IP(EA), eV:	-9.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C)(C)CC(C1=CC=CC2=C1C=NC=C2)NC

DOS

IR

Vibrations