Geometry & MOs

Info

ID:	367862
PubChem CID:	127325993
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	347.170588
ΔH_f, kcal/mol:	52.53
Dipole, Da:	11.42
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(3-ethyl-1-methyl-2H-pyrazolo[3,4-c]pyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=C2C(=NN=C2N(N1)C)NC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations