Geometry & MOs

Info

ID:	449224
PubChem CID:	135296966
Reduced:	N2O3C11H22 (1)
Stoich.:	A2B3C11D22 (1)
Weight, g/mol:	476.171414
ΔH_f, kcal/mol:	-138.23
Dipole, Da:	2.88
IP(EA), eV:	-9.07(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/NNC(C)(C)CCCO

DOS

IR

Vibrations