Geometry & MOs

Info

ID:	169861
PubChem CID:	75158795
Reduced:	SN4O4C25H31 (1)
Stoich.:	AB4C4D25E31 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-147.04
Dipole, Da:	3.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.919981
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C[N+]2=C3C=CSC3C(=O)N(C2=O)CC4CCC(CC4)C(=O)NC

DOS

IR

Vibrations