Geometry & MOs

Info

ID:	31329
PubChem CID:	855582
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	21.94
Dipole, Da:	5.69
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations