Geometry & MOs

Info

ID:	420710
PubChem CID:	135114690
Reduced:	ClN4O6C32H43 (1)
Stoich.:	AB4C6D32E43 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-213.51
Dipole, Da:	10.21
IP(EA), eV:	-8.33(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3=CC(=C(C=C3Cl)OCC=C)OC

DOS

IR

Vibrations