Geometry & MOs

Info

ID:	388733
PubChem CID:	134990028
Reduced:	BrS2N3C8H14 (1)
Stoich.:	AB2C3D8E14 (1)
Weight, g/mol:	225.011205
ΔH_f, kcal/mol:	18.42
Dipole, Da:	7.84
IP(EA), eV:	-8.14(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dichloro-4,5-dimethylisoquinoline

Drug info:

PubChemData

Smile

CN(C)C1=S(SC(=N1)N(C)CC=C)Br

DOS

IR

Vibrations