Geometry & MOs

Info

ID:	280307
PubChem CID:	103848315
Reduced:	ClFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	275.113313
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	2.29
IP(EA), eV:	-9.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNCC2=C(C(=CC=C2)Cl)F)O

DOS

IR

Vibrations