Geometry & MOs

Info

ID:	137745
PubChem CID:	52256407
Reduced:	FON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	339.182101
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	2.95
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[[(2R)-2-ethylhexyl]amino]-(5-oxopyrazolo[1,5-a]quinazolin-3-ylidene)methanolate

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCC(=CC1)C2=CNC3=C2C=CC(=C3)F

DOS

IR

Vibrations