Geometry & MOs

Info

ID:	352124
PubChem CID:	127283192
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	0.84
IP(EA), eV:	-8.79(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N5CCOCC5

DOS

IR

Vibrations