Geometry & MOs

Info

ID:	361178
PubChem CID:	127302122
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	7.21
IP(EA), eV:	-8.93(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations