Geometry & MOs

Info

ID:	293425
PubChem CID:	117388448
Reduced:	N2O3H10C14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	254.069142
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	4.52
IP(EA), eV:	-9.48(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylisoquinolin-7-yl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=CC2=C1C=CC(=C2)C3=CC(=NO3)C(=O)O

DOS

IR

Vibrations