Geometry & MOs

Info

ID:	361539
PubChem CID:	127303731
Reduced:	ON3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	17.57
Dipole, Da:	2.64
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2CNC(=O)C3=C(N=CC=C3)N4CCOCC4

DOS

IR

Vibrations