Geometry & MOs

Info

ID:	78428
PubChem CID:	49689604
Reduced:	ClN4O5C18H19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-63.66
Dipole, Da:	8.02
IP(EA), eV:	-9.74(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations