Geometry & MOs

Info

ID:	120801
PubChem CID:	50745060
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	411.06947
ΔH_f, kcal/mol:	-57.23
Dipole, Da:	2.16
IP(EA), eV:	-8.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N(C(=C2)C(=O)NCC3=CC=CO3)C

DOS

IR

Vibrations