Geometry & MOs

Info

ID:	419923
PubChem CID:	135109816
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-66.89
Dipole, Da:	4.34
IP(EA), eV:	-9.22(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-[[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CN=C(C=C2)N[C@@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations