Geometry & MOs

Info

ID:	139290
PubChem CID:	52504731
Reduced:	BrON4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	419.208316
ΔH_f, kcal/mol:	48.01
Dipole, Da:	5.03
IP(EA), eV:	-9.47(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)methyl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC(=CC=C1)Br)NC(=O)C2=C3N=CC=CN3N=C2

DOS

IR

Vibrations