Geometry & MOs

Info

ID:	292873
PubChem CID:	117362230
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-63.89
Dipole, Da:	2.72
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-1H-isochromen-7-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1COCC2=C1C=C(C=C2)C3=NNC(=C3)C(=O)O

DOS

IR

Vibrations