Geometry & MOs

Info

ID:	378416
PubChem CID:	134224497
Reduced:	FON6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	637.331585
ΔH_f, kcal/mol:	37.81
Dipole, Da:	9.57
IP(EA), eV:	-8.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(diethylamino)-2-(4-fluorophenyl)-5-[3-[(3-hydroxy-5,7-dimethyl-1-adamantyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C(=C/N=C)\F)/C1CCCN1C2=NC3=C(C=NN3C=C2)C(=O)NC4(CC4)C

DOS

IR

Vibrations