Geometry & MOs

Info

ID:	136612
PubChem CID:	52074114
Reduced:	O3N4C30H38 (1)
Stoich.:	A3B4C30D38 (1)
Weight, g/mol:	386.244367
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	2.84
IP(EA), eV:	-8.35(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2OC)CN3CCC(CC3)C(=O)NCCCN4CCC5=CC=CC=C5C4

DOS

IR

Vibrations