Geometry & MOs

Info

ID:	89724
PubChem CID:	49964104
Reduced:	FNOCl2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	3.57
IP(EA), eV:	-9.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)-(1-methylpyrrol-2-yl)methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(C2=C(N=CC=C2)F)O)Cl

DOS

IR

Vibrations