Geometry & MOs

Info

ID:	237396
PubChem CID:	92719038
Reduced:	ClN2O4C26H31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-162.66
Dipole, Da:	2.59
IP(EA), eV:	-9.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations