Geometry & MOs

Info

ID:	313160
PubChem CID:	126612304
Reduced:	OF3N6H21C24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	2.34
IP(EA), eV:	-9.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(5-methoxy-2-methylphenoxy)-5-methylphenol

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=C3C=C(C=NC3=NN2)C(=O)N[C@H]4CNC[C@@H]4C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations