Geometry & MOs

Info

ID:	287361
PubChem CID:	104239177
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	302.063362
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	2.14
IP(EA), eV:	-9.3(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OCC2=NC(=CC=C2)OC)Cl)O

DOS

IR

Vibrations