Geometry & MOs

Info

ID:	67645
PubChem CID:	46506891
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	406.146347
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	5.76
IP(EA), eV:	-8.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-methoxyphenyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-4-yl]sulfanyl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=NC=CN3C2=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations