Geometry & MOs

Info

ID:	183377
PubChem CID:	77013876
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-23.23
Dipole, Da:	7.79
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-isoquinolin-1-yl-5-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C2=CC=CC(=C2)C=CC(=O)O)C

DOS

IR

Vibrations