Geometry & MOs

Info

ID:	374742
PubChem CID:	131342588
Reduced:	ClN2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	202.029776
ΔH_f, kcal/mol:	63.05
Dipole, Da:	7.66
IP(EA), eV:	-8.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-methylisoquinoline-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2C(=C1)Cl)C#N)N

DOS

IR

Vibrations