Geometry & MOs

Info

ID:	141068
PubChem CID:	52812665
Reduced:	SO3N4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-108.99
Dipole, Da:	4.15
IP(EA), eV:	-10.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]methyl-methylamino]acetonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C=C(C=N2)S(=O)(=O)N

DOS

IR

Vibrations