Geometry & MOs

Info

ID:	136621
PubChem CID:	52075029
Reduced:	N3O5C25H38 (1)
Stoich.:	A3B5C25D38 (1)
Weight, g/mol:	474.296796
ΔH_f, kcal/mol:	-172.29
Dipole, Da:	6.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.211041
Charge, e:	1

Chem-info

IUPAC name:

1-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(3-propan-2-yloxypropyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=C(C=C3)OCC)OC)C

DOS

IR

Vibrations