Geometry & MOs

Info

ID:	380679
PubChem CID:	134971201
Reduced:	NO4C8H17 (1)
Stoich.:	AB4C8D17 (1)
Weight, g/mol:	272.073182
ΔH_f, kcal/mol:	-203.02
Dipole, Da:	6.28
IP(EA), eV:	-10.25(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]([C@H](CO)O)[C@@H]([C@@H](C)C(=O)O)N

DOS

IR

Vibrations