Geometry & MOs

Info

ID:	256793
PubChem CID:	103141408
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	362.96771
ΔH_f, kcal/mol:	65.62
Dipole, Da:	1.97
IP(EA), eV:	-9.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-2-yl)methyl]-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

COC1=C(C=CN=C1)C(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations