Geometry & MOs

Info

ID:	125483
PubChem CID:	50926056
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	1.79
Dipole, Da:	3.33
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-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(CC)CC

DOS

IR

Vibrations