Geometry & MOs

Info

ID:	125486
PubChem CID:	50926095
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	46.78
Dipole, Da:	2.54
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C=NN(C(=O)C3=C2)CC(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations