Geometry & MOs

Info

ID:	187849
PubChem CID:	77634563
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-166.09
Dipole, Da:	3.42
IP(EA), eV:	-9.23(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylamino)-1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1NC2CCCC(C2C(=O)N1)OCCC3=CC=CC=C3

DOS

IR

Vibrations