Geometry & MOs

Info

ID:	46398
PubChem CID:	10524245
Reduced:	BrFN2O3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	386.068779
ΔH_f, kcal/mol:	-179.37
Dipole, Da:	4.04
IP(EA), eV:	-9.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichlorophenyl)-[2-(dimethoxymethyl)-4,5-dimethoxyphenyl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCN(C1=O)CC2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations