Geometry & MOs

Info

ID:	328455
PubChem CID:	126723119
Reduced:	SO3N6C25H28 (1)
Stoich.:	AB3C6D25E28 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-21.76
Dipole, Da:	7.31
IP(EA), eV:	-8.52(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-(2,5-dimethoxyphenyl)-4-methoxyphenol

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CC=CC=N3)/C(=C/N=C(C4(CCOCC4)O)N=C)/C

DOS

IR

Vibrations