Geometry & MOs

Info

ID:	425231
PubChem CID:	135125584
Reduced:	ClF3O3N4H18C21 (1)
Stoich.:	AB3C3D4E18F21 (1)
Weight, g/mol:	367.119988
ΔH_f, kcal/mol:	-208.82
Dipole, Da:	8.19
IP(EA), eV:	-8.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chloropyridin-2-yl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC(=C1)Cl)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)OC)C(F)(F)F

DOS

IR

Vibrations