Geometry & MOs

Info

ID:	172527
PubChem CID:	75521875
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-59.4
Dipole, Da:	8.61
IP(EA), eV:	-9.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydrocinnolin-3-one

Drug info:

PubChemData

Smile

CN(C1(CCC1)C#N)S(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations