Geometry & MOs

Info

ID:	234392
PubChem CID:	92298321
Reduced:	O5C23H28 (1)
Stoich.:	A5B23C28 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-204.15
Dipole, Da:	3.72
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(1-oxophthalazin-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C[C@H]1CCCO1)(CC2=CC=CC3=CC=CC=C32)C(=O)OCC

DOS

IR

Vibrations