Geometry & MOs

Info

ID:	294451
PubChem CID:	117461860
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	5.33
IP(EA), eV:	-8.74(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2=CC=CC(=C2)C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations