Geometry & MOs

Info

ID:	333768
PubChem CID:	127252320
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	3.07
IP(EA), eV:	-9.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-acetyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)C2(CCN(C2)C(=O)C)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations