Geometry & MOs

Info

ID:	136624
PubChem CID:	52075044
Reduced:	N4O4C27H42 (1)
Stoich.:	A4B4C27D42 (1)
Weight, g/mol:	449.255266
ΔH_f, kcal/mol:	-139.13
Dipole, Da:	5.8
IP(EA), eV:	-8.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)C1CCN(CC1)CC2=C(OC(=N2)C3=CC(=C(C=C3)OCC)OC)C

DOS

IR

Vibrations