Geometry & MOs

Info

ID:	146393
PubChem CID:	53681236
Reduced:	FN2H5C7 (1)
Stoich.:	AB2C5D7 (1)
Weight, g/mol:	628.28757
ΔH_f, kcal/mol:	55.59
Dipole, Da:	2.77
IP(EA), eV:	-9.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]pentyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NF)C#N

DOS

IR

Vibrations