Geometry & MOs

Info

ID:	126797
PubChem CID:	50979373
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	367.116821
ΔH_f, kcal/mol:	-41.81
Dipole, Da:	3.74
IP(EA), eV:	-9.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-4-(6-methyl-4-oxochromen-3-yl)-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CO1)C(=O)C2=CN=C(N=C2C)C

DOS

IR

Vibrations