Geometry & MOs

Info

ID:	71792
PubChem CID:	48415412
Reduced:	ClFON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	6.65
IP(EA), eV:	-8.65(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-6-cyclopropyl-N,1,3-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations