Geometry & MOs

Info

ID:	417911
PubChem CID:	135103046
Reduced:	N2O5C19H28 (1)
Stoich.:	A2B5C19D28 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-223.16
Dipole, Da:	5.57
IP(EA), eV:	-8.33(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(furan-3-ylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NC(=O)N2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O

DOS

IR

Vibrations