Geometry & MOs

Info

ID:	165149
PubChem CID:	74505741
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	2.49
IP(EA), eV:	-8.73(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CN1CCC2CC(=O)N(CCC2C1)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations