Geometry & MOs

Info

ID:	185383
PubChem CID:	77292493
Reduced:	O2N4F5C22H25 (1)
Stoich.:	A2B4C5D22E25 (1)
Weight, g/mol:	411.186065
ΔH_f, kcal/mol:	-272.27
Dipole, Da:	9.94
IP(EA), eV:	-9.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]propan-1-ol;iron

Drug info:

PubChemData

Smile

CC(C)(C)N(C1CCC(CN2C1=NN=C2C3(CC3)C(F)(F)F)C4=C(C(=CC=C4)F)F)C(=O)O

DOS

IR

Vibrations