Geometry & MOs

Info

ID:	449244
PubChem CID:	135297126
Reduced:	NO3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	390.134635
ΔH_f, kcal/mol:	-203.29
Dipole, Da:	13.39
IP(EA), eV:	-8.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (7R)-10-chloro-9-hydroxy-7-methyl-6-(2-methylbutan-2-yl)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(=CC1=O)C3=CC(=C(C=C3[C@H]4N2C(CC4)(C)C)OCCCOC)O

DOS

IR

Vibrations