Geometry & MOs

Info

ID:	227054
PubChem CID:	87559933
Reduced:	N2O5C16H16 (1)
Stoich.:	A2B5C16D16 (1)
Weight, g/mol:	349.94577
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	6.09
IP(EA), eV:	-8.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-chloro-5-phenylpyrazolo[1,5-a]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(ON=C2)NC(=O)COCC#C)OC

DOS

IR

Vibrations