Geometry & MOs

Info

ID:	272831
PubChem CID:	103760657
Reduced:	FON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	4.03
IP(EA), eV:	-9.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C1CC1)N(CCOC)CC2=C(C=CC(=C2)F)C#N

DOS

IR

Vibrations