Geometry & MOs

Info

ID:	122533
PubChem CID:	50810953
Reduced:	O2N3H23C26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	29.04
Dipole, Da:	5.64
IP(EA), eV:	-8.73(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3=NC(=O)CC(C3=C(N2)C)C(=O)C4=CC=CC5=CC=CC=C54)C

DOS

IR

Vibrations