Geometry & MOs

Info

ID:	168624
PubChem CID:	74996778
Reduced:	NO5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	291.041069
ΔH_f, kcal/mol:	-61.02
Dipole, Da:	3.05
IP(EA), eV:	-8.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-chloro-5-oxo-9H-pyrazolo[1,5-c]quinazoline-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3C2=CC=CC3=O)O)OC

DOS

IR

Vibrations