Geometry & MOs

Info

ID:	38083
PubChem CID:	8026871
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	386.15902
ΔH_f, kcal/mol:	-58.48
Dipole, Da:	4.18
IP(EA), eV:	-9.27(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations