Geometry & MOs

Info

ID:	402864
PubChem CID:	135057594
Reduced:	NS2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	266.105528
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	6.03
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(pyridin-2-ylmethyl)-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C)C4=C(C2=O)C=CS4

DOS

IR

Vibrations