Geometry & MOs

Info

ID:	336254
PubChem CID:	127255261
Reduced:	SN3O5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	455.222035
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	3.21
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)N5CCSCC5)OC

DOS

IR

Vibrations