Geometry & MOs

Info

ID:	245524
PubChem CID:	99453667
Reduced:	N5O5H23C24 (1)
Stoich.:	A5B5C23D24 (1)
Weight, g/mol:	459.190654
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	6.21
IP(EA), eV:	-8.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dimethoxyphenyl)methyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)C2=CN=C3C(=C2)C=NN3CC4=C(C=C(C=C4)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations