Geometry & MOs

Info

ID:	378395
PubChem CID:	134224474
Reduced:	O4N5C11H15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	637.331585
ΔH_f, kcal/mol:	-113.75
Dipole, Da:	3.14
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(COC(C(C1O)O)N2C=NC3=C(N=CN=C32)N)O

DOS

IR

Vibrations