Geometry & MOs

Info

ID:	89554
PubChem CID:	49962632
Reduced:	O3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-198.02
Dipole, Da:	4.66
IP(EA), eV:	-8.03(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butylphenyl)-(3,4-dimethoxyphenyl)methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2=C(C=C(C=C2OC)OC)OC)O)OC

DOS

IR

Vibrations