Geometry & MOs

Info

ID:	336513
PubChem CID:	127255520
Reduced:	ClN2F3H4C9 (1)
Stoich.:	AB2C3D4E9 (1)
Weight, g/mol:	251.95344
ΔH_f, kcal/mol:	-101.8
Dipole, Da:	3.57
IP(EA), eV:	-10.25(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-nitroisoquinoline

Drug info:

PubChemData

Smile

C1=CC(=NC2=C(C=CN=C21)Cl)C(F)(F)F

DOS

IR

Vibrations