Geometry & MOs

Info

ID:	297392
PubChem CID:	117616751
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	381.099252
ΔH_f, kcal/mol:	-165.15
Dipole, Da:	2.8
IP(EA), eV:	-9.7(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[3-(4-chloroanilino)-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]-5-oxocyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2CCC[C@@H]1C(=O)NC2

DOS

IR

Vibrations