Geometry & MOs

Info

ID:	299897
PubChem CID:	117866919
Reduced:	ClFO3N6C25H28 (1)
Stoich.:	ABC3D6E25F28 (1)
Weight, g/mol:	475.308644
ΔH_f, kcal/mol:	-82.16
Dipole, Da:	6.58
IP(EA), eV:	-8.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-[6-(4-tert-butylcyclohexyl)oxy-1-(4-ethoxyphenyl)naphthalen-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CN1C(=O)O)C(=O)NC2=C3N=C(C=CN3N=C2)N4CCCC4C5=C(C=CC(=C5)F)Cl

DOS

IR

Vibrations