Geometry & MOs

Info

ID:	424129
PubChem CID:	135121436
Reduced:	O5C12H14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	-188.44
Dipole, Da:	6.29
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-7-(methylamino)isoquinoline-5,8-dione

Drug info:

PubChemData

Smile

CCC(=C(C1=C(C(=CC=C1)O)OC)C(=O)O)O

DOS

IR

Vibrations