Geometry & MOs

Info

ID:	164187
PubChem CID:	74382233
Reduced:	SO3N6C29H32 (1)
Stoich.:	AB3C6D29E32 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	4.47
Dipole, Da:	7.15
IP(EA), eV:	-8.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-(2-methylpyrrolidin-1-yl)propoxy]-5,6-dihydro-4aH-benzo[f]cinnolin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)NC(=C3C4=C(C=CC(=C4)S(=O)(=O)NCC5CC5)NC3=O)C6=CC=CC=N6

DOS

IR

Vibrations