Geometry & MOs

Info

ID:	46192
PubChem CID:	10522953
Reduced:	O2C11H18 (2)
Stoich.:	A2B11C18 (2)
Weight, g/mol:	366.088353
ΔH_f, kcal/mol:	-217.14
Dipole, Da:	0.98
IP(EA), eV:	-9.36(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-methyl-6-(4-nitrophenyl)-4,5-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

[3H][C@]1(C[C@@H]2C=C(C[C@@H]2[C@H]1/C=C/[C@H](CCCCC)O)CCCCC(=O)OC)O

DOS

IR

Vibrations