Geometry & MOs

Info

ID:	204544
PubChem CID:	79979900
Reduced:	ClN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	274.116921
ΔH_f, kcal/mol:	53.18
Dipole, Da:	2.28
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropylphenyl)-2-(2,4-difluorophenyl)ethanol

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=N1)C2=CC=C(C=C2)C3CC3)Cl

DOS

IR

Vibrations