Geometry & MOs

Info

ID:	89589
PubChem CID:	49962915
Reduced:	OSN2H18C22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	364.06741
ΔH_f, kcal/mol:	50.06
Dipole, Da:	4.61
IP(EA), eV:	-8.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2,4-dimethoxyphenyl)-(2,4,6-trimethylphenyl)methanol

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(C3=NC4=CC=CC=C4S3)O)C5=CC=CC=C51

DOS

IR

Vibrations