Geometry & MOs

Info

ID:	197154
PubChem CID:	78929678
Reduced:	ClF2N3O3H6C12 (1)
Stoich.:	AB2C3D3E6F12 (1)
Weight, g/mol:	317.012267
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	6.03
IP(EA), eV:	-9.44(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-N-(6-chloropyridin-3-yl)isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)F)Cl

DOS

IR

Vibrations