Geometry & MOs

Info

ID:	426879
PubChem CID:	135154312
Reduced:	ClF2O2N4H25C31 (1)
Stoich.:	AB2C2D4E25F31 (1)
Weight, g/mol:	318.144279
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	2.17
IP(EA), eV:	-9.55(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-(1-hydroxypentyl)-2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Cl)C(=O)C2=CC=CC(=C2)CN3C(=O)C(N=C3N)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations