Geometry & MOs

Info

ID:	126140
PubChem CID:	50952994
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	4.84
IP(EA), eV:	-9.15(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(5-methyl-1H-imidazol-4-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCN3CCN(C(=O)C3C2)C

DOS

IR

Vibrations