Geometry & MOs

Info

ID:	423079
PubChem CID:	135118883
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-107.84
Dipole, Da:	7.53
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC4=C(CCC4)NC3=O

DOS

IR

Vibrations