Geometry & MOs

Info

ID:	233557
PubChem CID:	91145445
Reduced:	OC12H24 (1)
Stoich.:	AB12C24 (1)
Weight, g/mol:	509.232599
ΔH_f, kcal/mol:	-101.62
Dipole, Da:	2.31
IP(EA), eV:	-10.16(2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-fluoropyrrolidin-2-yl)-3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxopropoxy]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C1CC(CC(C1)O)C

DOS

IR

Vibrations