Geometry & MOs

Info

ID:	245467
PubChem CID:	99445097
Reduced:	FN4O4C23H25 (1)
Stoich.:	AB4C4D23E25 (1)
Weight, g/mol:	383.189672
ΔH_f, kcal/mol:	-132.62
Dipole, Da:	3.8
IP(EA), eV:	-9.35(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)N(CC3=CC=CO3)C4=CC=CC=C4F

DOS

IR

Vibrations