Geometry & MOs

Info

ID:	46620
PubChem CID:	10525675
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	11.4
IP(EA), eV:	-8.3(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl N-methyl-N-phenylcarbamate

Drug info:

PubChemData

Smile

CN(C)CCN1C2=C(C3=CC=CC=C31)C4=C(C5=C(C2)NC6=CC=CC=C65)C(=O)OC4=O

DOS

IR

Vibrations