Geometry & MOs

Info

ID:	448353
PubChem CID:	135290316
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	-153.63
Dipole, Da:	10.57
IP(EA), eV:	-9.13(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4H-pyrido[2,1-a]phthalazine-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC2N1N3C=C(C(=O)C=C3C4=CC(=C(C=C24)O)OC)C(=O)O)C

DOS

IR

Vibrations