Geometry & MOs

Info

ID:	79888
PubChem CID:	49831046
Reduced:	NOH2C3 (4)
Stoich.:	ABC2D3 (4)
Weight, g/mol:	300.00106
ΔH_f, kcal/mol:	12.97
Dipole, Da:	8.0
IP(EA), eV:	-9.63(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-pyrimidin-4-ylisoquinolin-3-amine

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1C(=O)N)C3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations