Geometry & MOs

Info

ID:	189184
PubChem CID:	77825736
Reduced:	N4O5C29H40 (1)
Stoich.:	A4B5C29D40 (1)
Weight, g/mol:	531.236936
ΔH_f, kcal/mol:	-176.42
Dipole, Da:	4.6
IP(EA), eV:	-8.3(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-acetyl-4-phenylpiperidin-1-yl)-4-[(4-benzyl-1,3-oxazol-2-yl)methylamino]-1,4-dioxobutan-2-yl] acetate

Drug info:

PubChemData

Smile

CC1CC=CC(=C1)N2CCN(CC2)C(=O)C(C(C(=O)NCCCCNC(=O)C3(CC3)C4=CC=CC=C4)O)O

DOS

IR

Vibrations