Geometry & MOs

Info

ID:	172501
PubChem CID:	75516872
Reduced:	ClN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	3.97
IP(EA), eV:	-8.27(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-N-ethyl-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)Cl)NC2CCN(CC2)C(=O)C3=COC=C3

DOS

IR

Vibrations