Geometry & MOs

Info

ID:	417964
PubChem CID:	135103181
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	4.62
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC(=O)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations