Geometry & MOs

Info

ID:	196785
PubChem CID:	78878074
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	6.07
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-benzyl-4-oxophthalazine-1-carbonyl)-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)OC)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

DOS

IR

Vibrations