Geometry & MOs

Info

ID:	127072
PubChem CID:	50989692
Reduced:	N2O2F3H5C7 (1)
Stoich.:	A2B2C3D5E7 (1)
Weight, g/mol:	235.118399
ΔH_f, kcal/mol:	-216.46
Dipole, Da:	4.45
IP(EA), eV:	-10.2(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(trifluoromethyl)adamantan-2-ol

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1C(=O)O)N)C(F)(F)F

DOS

IR

Vibrations