Geometry & MOs

Info

ID:	89556
PubChem CID:	49962640
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	262.100523
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	3.93
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2=NC=CN2C=C)O)OC

DOS

IR

Vibrations