Geometry & MOs

Info

ID:	71794
PubChem CID:	48415416
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	404.23246
ΔH_f, kcal/mol:	-84.46
Dipole, Da:	3.77
IP(EA), eV:	-8.86(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,1,3-trimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCCNC(=O)NC3CCCCC3

DOS

IR

Vibrations