Geometry & MOs

Info

ID:	417897
PubChem CID:	135103030
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	7.04
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-hydroxypyridin-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCCCN3C=C(CCC(=O)N4CCC(C4)CNC2=O)N=N3

DOS

IR

Vibrations