Geometry & MOs

Info

ID:	237397
PubChem CID:	92719042
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-144.83
Dipole, Da:	3.27
IP(EA), eV:	-9.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1OC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

DOS

IR

Vibrations