Geometry & MOs

Info

ID:	155207
PubChem CID:	56322653
Reduced:	ClN4O4H21C24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	4.21
IP(EA), eV:	-9.35(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-hydroxybenzoyl)amino]propyl]-1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)NCCCNC(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations