Geometry & MOs

Info

ID:	83871
PubChem CID:	49862068
Reduced:	N4O5C25H32 (1)
Stoich.:	A4B5C25D32 (1)
Weight, g/mol:	194.105528
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	4.77
IP(EA), eV:	-8.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(CC3CCCC3)CC(=O)NO

DOS

IR

Vibrations