Geometry & MOs

Info

ID:	257170
PubChem CID:	103144182
Reduced:	BrSN3H6C11 (1)
Stoich.:	ABC3D6E11 (1)
Weight, g/mol:	325.02146
ΔH_f, kcal/mol:	112.16
Dipole, Da:	5.84
IP(EA), eV:	-9.53(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(6-bromo-2-cyclopropylpyrimidin-4-yl)isoquinoline

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=NN=C(S3)Br

DOS

IR

Vibrations