Geometry & MOs

Info

ID:	443170
PubChem CID:	135257953
Reduced:	ClON5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	494.180872
ΔH_f, kcal/mol:	77.18
Dipole, Da:	2.9
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)N(C)C)C(=O)N/C(=C/C=C(\C=C)/Cl)/C)C3=CC=CC=C3

DOS

IR

Vibrations