Geometry & MOs

Info

ID:	443324
PubChem CID:	135258577
Reduced:	ClF2N3O5C34H34 (1)
Stoich.:	AB2C3D5E34F34 (1)
Weight, g/mol:	250.087291
ΔH_f, kcal/mol:	-158.28
Dipole, Da:	5.55
IP(EA), eV:	-9.18(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-ethylphenyl)-2-imidazol-1-ylethanol

Drug info:

PubChemData

Smile

CCC1=C(CC(OC1)C2=C(C=C(C=C2)OCC3=C(ON=C3C4=C(C=CC=C4F)F)C5CC5)Cl)C6=CC(=NN6C(C)C)C(=O)OC

DOS

IR

Vibrations