Geometry & MOs

Info

ID:	289790
PubChem CID:	104373607
Reduced:	NF2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	236.066029
ΔH_f, kcal/mol:	-81.2
Dipole, Da:	3.4
IP(EA), eV:	-8.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3,5-dimethoxyphenyl)-2,2,2-trifluoroethanol

Drug info:

PubChemData

Smile

CCC1CC1(CNC(C)C)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations