Geometry & MOs

Info

ID:	136614
PubChem CID:	52074134
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	400.260017
ΔH_f, kcal/mol:	-107.57
Dipole, Da:	3.43
IP(EA), eV:	-8.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3CCC(CC3)C(=O)NC(C)(C)C

DOS

IR

Vibrations