Geometry & MOs

Info

ID:	423119
PubChem CID:	135118967
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	6.76
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)N3CC[C@]([C@H](C3)O)(CC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations