Geometry & MOs

Info

ID:	247499
PubChem CID:	103071930
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	21.15
Dipole, Da:	1.3
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)prop-2-enyl]-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C=C(CN)CN1C=NC2=C(C1=O)SC=C2

DOS

IR

Vibrations