Geometry & MOs

Info

ID:	205414
PubChem CID:	80096539
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	298.081679
ΔH_f, kcal/mol:	-44.16
Dipole, Da:	4.38
IP(EA), eV:	-8.44(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(hydroxymethyl)-2-(trifluoromethyl)phenoxy]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)CN(CC2=CC=C(C=C2)N)CC(=O)N

DOS

IR

Vibrations