Geometry & MOs

Info

ID:	73844
PubChem CID:	48420684
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	33.23
Dipole, Da:	4.94
IP(EA), eV:	-9.93(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)CCC3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations