Geometry & MOs

Info

ID:	292352
PubChem CID:	114917325
Reduced:	Cl2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	317.012267
ΔH_f, kcal/mol:	-120.49
Dipole, Da:	3.74
IP(EA), eV:	-9.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-isoquinolin-5-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1C(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations