Geometry & MOs

Info

ID:	125481
PubChem CID:	50926054
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	43.35
Dipole, Da:	5.12
IP(EA), eV:	-7.96(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C=NN(C(=O)C3=C2)CC(=O)NC4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations