Geometry & MOs

Info

ID:	449245
PubChem CID:	135297138
Reduced:	ClN2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	446.16085
ΔH_f, kcal/mol:	-126.83
Dipole, Da:	9.7
IP(EA), eV:	-9.17(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-6-(2-methylbutan-2-yl)-9-[(3-methyloxetan-3-yl)methoxy]-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)N1[C@@H](C2=CC(=C(C=C2C3=CC(=O)C(=CN31)C(=O)OC)Cl)O)C

DOS

IR

Vibrations