Geometry & MOs

Info

ID:	137747
PubChem CID:	52256688
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	339.182101
ΔH_f, kcal/mol:	-26.3
Dipole, Da:	6.04
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)CNC(=O)C1=CNN2C1=NC(=O)C3=CC=CC=C32

DOS

IR

Vibrations