Geometry & MOs

Info

ID:	195730
PubChem CID:	78729004
Reduced:	ClFN2O3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	351.140135
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	4.26
IP(EA), eV:	-9.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-(3-chloro-4-fluorophenoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)OC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations