Geometry & MOs

Info

ID:	449228
PubChem CID:	135296999
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	534.272987
ΔH_f, kcal/mol:	-124.1
Dipole, Da:	15.22
IP(EA), eV:	-9.39(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-(3-methoxypropoxy)-6-(2-methylbutan-2-yl)-2-oxo-10-phenylmethoxy-7H-pyrido[2,1-a]phthalazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OC)C3=CC(=O)C(=CN3N4[C@@H]2CCC4(C)C)C(=O)O

DOS

IR

Vibrations