Geometry & MOs

Info

ID:	421119
PubChem CID:	135115402
Reduced:	O4N7C34H41 (1)
Stoich.:	A4B7C34D41 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-102.54
Dipole, Da:	7.41
IP(EA), eV:	-8.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=CC=CC(=C2)CN3C(=CC(=N3)C)C)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations