Geometry & MOs

Info

ID:	407451
PubChem CID:	135080167
Reduced:	NH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	216.076199
ΔH_f, kcal/mol:	63.54
Dipole, Da:	4.42
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(trifluoromethyl)phenyl]but-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=NC=C2)C3=CC=CC=C3

DOS

IR

Vibrations