Geometry & MOs

Info

ID:	352496
PubChem CID:	127283584
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	322.175339
ΔH_f, kcal/mol:	-77.32
Dipole, Da:	7.58
IP(EA), eV:	-9.68(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)N5C=NC=N5

DOS

IR

Vibrations