Geometry & MOs

Info

ID:	256601
PubChem CID:	103140097
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	328.02113
ΔH_f, kcal/mol:	82.88
Dipole, Da:	4.37
IP(EA), eV:	-9.09(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3-bromophenyl)methoxy]isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(C2=NN(C=C2)C)NN

DOS

IR

Vibrations