Geometry & MOs

Info

ID:	128394
PubChem CID:	51042619
Reduced:	FSN5H22C30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	142.24
Dipole, Da:	3.72
IP(EA), eV:	-8.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(3,4,5-trimethoxyphenyl)phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=CC=C3)CC4=NNC(=S)N4C5=CC=C(C=C5)F)C6=CC=CC=C6

DOS

IR

Vibrations