Geometry & MOs

Info

ID:	422225
PubChem CID:	135117440
Reduced:	O6N7C34H51 (1)
Stoich.:	A6B7C34D51 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-250.43
Dipole, Da:	5.6
IP(EA), eV:	-8.93(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)CC(C)C)C(=O)N[C@H]2CC3=CC=C(C=C3)OCC(=O)NCCN(C(=O)[C@@H](NC(=O)CCCNC2=O)CC(C)C)C

DOS

IR

Vibrations