Geometry & MOs

Info

ID:	448146
PubChem CID:	135288794
Reduced:	Cl2O2N8H22C27 (1)
Stoich.:	A2B2C8D22E27 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	87.52
Dipole, Da:	5.48
IP(EA), eV:	-9.72(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-tert-butylphenoxy)ethyl]-N-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CNC(=O)[C@H](CC2=CC=CC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl

DOS

IR

Vibrations